Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2497633

CCOC(=O)[C@@H](N)CCCCN.Cl

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 2/20 0.38
CPB2 Q96IY4 2/20 0.57
GSR P00390 1/20 0.53
CYP1A2 P05177 1/20 0.47
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
DPP7 Q9UHL4 8/20 0.43
DPP8 Q6V1X1 4/20 0.43
DPP9 Q86TI2 4/20 0.43
NOD1 Q9Y239 2/20 0.41
TLR2 O60603 2/20 0.41
RNPEP Q9H4A4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL213478 1.00 CPB2 (0.57) CPB2GSRCYP1A2GNAI3GNAO1
Hydrochloric Acid SCHEMBL3395631 1.00 CPB2 (0.57) CPB2GSRCYP1A2GNAI3GNAO1
Hydrochloric Acid SCHEMBL213479 1.00 CPB2 (0.57) CPB2GSRCYP1A2GNAI3GNAO1
Ethylenediamine SCHEMBL28433198 0.98 CPB2 (0.56) CPB2GSRCYP1A2GNAI3GNAO1
SCHEMBL213480 0.98 CPB2 (0.59) CPB2GSRCYP1A2GNAI3GNAO1
SCHEMBL249147 0.98 CPB2 (0.59) CPB2GSRCYP1A2GNAI3GNAO1
SCHEMBL11511459 0.98 CPB2 (0.59) CPB2GSRCYP1A2GNAI3GNAO1
Ammonia Solution, Strong SCHEMBL28880801 0.96 CPB2 (0.57) CPB2GSRCYP1A2GNAI3GNAO1
Ammonia Solution, Strong SCHEMBL21802416 0.96 CPB2 (0.57) CPB2GSRCYP1A2GNAI3GNAO1
SCHEMBL28597390 0.96 CPB2 (0.62) CPB2GSRCYP1A2GNAI3GNAO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160185-B Preparation method of lysine ethyl ester diisocyanate 安徽丰原集团有限公司 2024-06-18 CN claimed
CN-115160185-A Preparation method of lysine ethyl ester diisocyanate 安徽丰原集团有限公司 2022-10-11 CN claimed
CN-112142613-B Rosin-based small-molecule organic gel and cyclohexane gel formed by same 江南大学 2021-06-25 CN claimed
CN-112142613-A Rosin-based small-molecule organic gel and cyclohexane gel formed by same 江南大学 2020-12-29 CN claimed
CN-1461762-A Method of preparing branched polyethylene glycol INST PROCESS ENG CAS (CN) 2003-12-17 CN claimed
CN-115160185-B Preparation method of lysine ethyl ester diisocyanate 安徽丰原集团有限公司 2024-06-18 CN disclosed
CN-115160185-B Preparation method of lysine ethyl ester diisocyanate 安徽丰原集团有限公司 2024-06-18 CN disclosed
CN-113275584-B Micro-nano silver powder and preparation method and application thereof 苏州星翰新材料科技有限公司 2023-11-14 CN disclosed
CN-116496950-B Lysine production strain and application thereof, and lysine production method 欧铭庄生物科技(天津)有限公司滨海新区分公司 2023-10-24 CN disclosed
CN-116496950-A Lysine production strain and application thereof, and lysine production method 欧铭庄生物科技(天津)有限公司滨海新区分公司 2023-07-28 CN disclosed
CN-115558078-A Degradable polyurethane and application thereof 珠海睿展生物材料有限公司 2023-01-03 CN disclosed
CN-115160185-A Preparation method of lysine ethyl ester diisocyanate 安徽丰原集团有限公司 2022-10-11 CN disclosed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed
US-5030620-A Anticarcinogenic and antitumor agents OMNICHEM (BE) 1991-07-09 US disclosed
US-4828831-A ANTICANCER OMNICHEM (BE) 1989-05-09 US disclosed
EP-0232693-A2 Conjugates of vinblastine and its derivatives, process for their preparation and pharmaceutical compositions containing them LA REGION WALLONNE (BE) 1987-08-19 EP disclosed
US-4561911-A CONTAINING AMINO ACID NIPPON STEEL CORPORATION (JP) 1985-12-31 US disclosed
US-4154956-A REACTING A-AMINO-E-CAPROLACTAM WITH AN ALCOHOL AND AN ACID CATALYST, SALT FORMATION, DECYCLIZATION, ESTERIFICATION TORAY INDUSTRIES, INC. (JP) 1979-05-15 US disclosed