Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20293586

Cl.NC(=O)c1cccc(-c2cnc(N3CCNCC3)nc2)c1

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.50
CDK6 known ✓ Q00534 1/20 0.49
PRKD3 known ✓ O94806 2/20 0.46
ROCK2 known ✓ O75116 1/20 0.46
ABL1 known ✓ P00519 1/20 0.46
EGFR known ✓ P00533 1/20 0.46
NTRK1 known ✓ P04629 1/20 0.46
LCK known ✓ P06239 1/20 0.46
CSF1R known ✓ P07333 1/20 0.46
FGFR1 known ✓ P11362 1/20 0.46
FLT1 known ✓ P17948 1/20 0.46
FGFR3 known ✓ P22607 1/20 0.46
FLT4 known ✓ P35916 1/20 0.46
KDR known ✓ P35968 1/20 0.46
FLT3 known ✓ P36888 1/20 0.46
PRKCZ known ✓ Q05513 1/20 0.46
ITK known ✓ Q08881 1/20 0.46
ROCK1 known ✓ Q13464 1/20 0.46
NTRK3 known ✓ Q16288 1/20 0.46
NTRK2 known ✓ Q16620 1/20 0.46

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 SCHEMBL20293639 0.85 HDAC2 (0.55) MAP3K11CCNT1CCND1CCNCCDK8
Hydrochloric Acid SCHEMBL20293534 0.84 ACVR1 (0.54) MAP3K11CHRNB2CHRNA4PRKD3PRKD2
Hydrochloric Acid SCHEMBL30422704 0.81 ALDH1A1 (0.53) CHRNB2CHRNA4PRKD3PRKD2KDM4E
SCHEMBL25419798 0.79 CHRNB2 (0.51) CHRNB2CHRNA4PRKD3PRKD2KDM4E
Hydrochloric Acid SCHEMBL20855346 0.79 HPGDS (0.47) CHRNB2CHRNA4PRKD3PRKD2KDM4E
Hydrochloric Acid SCHEMBL22371664 0.78 KDM4E (0.44) CHRNB2CHRNA4ROCK2PIM1GSK3B
Hydrochloric Acid SCHEMBL22371670 0.78 MAPKAPK2 (0.46) PRKD3PRKD2PIM1PIM3KDM4E
Hydrochloric Acid SCHEMBL3072477 0.77 ADRB1 (0.58) SLC6A4CHRNB2CHRNA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6503848 0.77 ADRB1 (0.58) SLC6A4CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL20293616 0.76 GPR119 (0.56) SLC6A7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316025-B2 Substituted piperazine compounds and methods of use and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-06-11 US disclosed
US-20180179188-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180179188-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE AND USE THEREOF HTR5A, HTR2C, TPH1 SLC6A4 14/4885CDK6 2896/4885PRKD3 2126/4885
US-10316025-B2 Substituted piperazine compounds and methods of use and use thereof HTR5A, HTR2C, TPH1 SLC6A4 14/4885CDK6 2896/4885PRKD3 2126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.