Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10464261

COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1.Cl.Cl.Cl

nearest known ligand 0.89

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
CACNA1C known ✓ Q13936 3/20 0.70
CACNA1F known ✓ O60840 2/20 0.70
CACNA1D known ✓ Q01668 2/20 0.70
CACNA1S known ✓ Q13698 2/20 0.70
CACNA1B known ✓ Q00975 1/20 0.67
SCN5A known ✓ Q14524 2/20 0.65
CHRM2 known ✓ P08172 1/20 0.65
HTR1A known ✓ P08908 1/20 0.65
ADRA2A known ✓ P08913 1/20 0.65
CHRM1 known ✓ P11229 1/20 0.65
DRD1 known ✓ P21728 1/20 0.65
SLC6A2 known ✓ P23975 1/20 0.65
PDE4A known ✓ P27815 1/20 0.65
SLC6A4 known ✓ P31645 1/20 0.65
ADRA1A known ✓ P35348 1/20 0.65
OPRM1 known ✓ P35372 1/20 0.65
DRD3 known ✓ P35462 1/20 0.65
SLC6A3 known ✓ Q01959 1/20 0.65
KCNH2 known ✓ Q12809 1/20 0.65
NR3C1 known ✓ P04150 1/20 0.64

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 SCHEMBL10464259 1.00 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6234505 1.00 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4661068 1.00 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4661058 1.00 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4654954 0.99 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7384519 0.99 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6455316 0.99 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL336400 0.99 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4654952 0.99 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Iodide SCHEMBL8054093 0.98 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-4937242-A CALCIUM ANTAGONISTS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 US claimed
US-4937242-A CALCIUM ANTAGONISTS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed