Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7758688

CC1=C(C(=O)OCCNC(=O)c2cccnc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCNC(=O)c2cccnc2)=C(C)N1.Cl.Cl

nearest known ligand 0.94

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
▸ CACNA1F known ✓ O60840 7/20 0.62
▸ CACNA1D known ✓ Q01668 7/20 0.62
▸ CACNA1S known ✓ Q13698 7/20 0.62
▸ CACNA1C known ✓ Q13936 7/20 0.62
▸ MAPT P10636 5/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.60
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ CYP1A2 P05177 4/20 0.59
▸ CYP3A4 P08684 4/20 0.59
▸ CYP2C9 P11712 4/20 0.59
▸ CYP2C19 P33261 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ THPO P40225 2/20 0.59
▸ HIF1A Q16665 3/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL9387549 0.99 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL10666388 0.97 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL7379582 0.97 MEN1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL7377596 0.96 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL7104237 0.96 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
Hydrochloric Acid SCHEMBL7376947 0.94 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL10668484 0.94 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL7110929 0.93 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL7110931 0.93 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL7375431 0.91 MEN1 (0.56) CACNA1FCACNA1DCACNA1SCACNA1CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657429-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUNDS MERCIAN CORP (JP) 2001-04-11 — — EP disclosed
US-5635395-A Optically active 1,4-dihydropyridine compounds and the microbial process for the stereoselection thereof MERCIAN CORPORATION (JP) 1997-06-03 — — US disclosed
EP-0657429-A1 OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 1995-06-14 — — EP disclosed
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