Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10791348

Cl.O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

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
▸ HTR2C known ✓ P28335 3/20 0.42
▸ HTR2B known ✓ P41595 1/20 0.42
▸ REN known ✓ P00797 1/20 0.41
▸ CALCRL known ✓ Q16602 1/20 0.40
▸ HDAC3 known ✓ O15379 1/20 0.38
▸ HDAC1 known ✓ Q13547 1/20 0.38
▸ HDAC2 known ✓ Q92769 1/20 0.38
▸ HDAC10 known ✓ Q969S8 1/20 0.38
▸ HDAC11 known ✓ Q96DB2 1/20 0.38
▸ HDAC8 known ✓ Q9BY41 1/20 0.38
▸ HDAC6 known ✓ Q9UBN7 1/20 0.38
▸ GHSR known ✓ Q92847 1/20 0.38
▸ CTSC P53634 4/20 0.50
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 2/20 0.39

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 SCHEMBL10794177 1.00 CTSC (0.50) CTSCHTR2CHTR2BRENCALCRL
SCHEMBL10791354 0.99 CTSC (0.51) CTSCHTR2CHTR2BRENCALCRL
SCHEMBL10792868 0.99 CTSC (0.51) CTSCHTR2CHTR2BRENCALCRL
SCHEMBL29002964 0.86 CTSC (0.56) CTSCHTR2CHTR2BRENCALCRL
SCHEMBL29002965 0.86 CTSC (0.56) CTSCHTR2CHTR2BRENCALCRL
Hydrochloric Acid SCHEMBL10789059 0.84 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10790985 0.83 CTSC (0.60) CTSCHTR2CHTR2BRENCALCRL
SCHEMBL10791014 0.83 CTSC (0.60) CTSCHTR2CHTR2BRENCALCRL
Hydrochloric Acid SCHEMBL10788806 0.83 DPP7 (0.35) CTSCHTR2CRENCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10788803 0.83 DPP7 (0.35) CTSCHTR2CRENCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142231-B1 PROCESS FOR PRODUCING SEQUENTIAL POLYAMINO ACID RESIN NITTO BOSEKI CO., LTD. (JP) 1987-11-11 — — EP claimed
EP-0142231-A1 Process for producing sequential polyamino acid resin NITTO BOSEKI CO., LTD. (JP) 1985-05-22 — — EP claimed
EP-0142231-B1 PROCESS FOR PRODUCING SEQUENTIAL POLYAMINO ACID RESIN NITTO BOSEKI CO., LTD. (JP) 1987-11-11 — — EP disclosed
US-4594409-A Polycondensation of a peptide active ester salt NITTO BOSEKI CO., LTD. (JP) 1986-06-10 — — US disclosed
EP-0142231-A1 Process for producing sequential polyamino acid resin NITTO BOSEKI CO., LTD. (JP) 1985-05-22 — — EP disclosed
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