Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8475327

CN[C@H](C)Cc1ccc(CCCCC(=O)O)cc1.Cl

nearest known ligand 0.54

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
SIGMAR1 known ✓ Q99720 4/20 0.50
SLC18A2 known ✓ Q05940 1/20 0.50
HDAC3 known ✓ O15379 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
HDAC4 known ✓ P56524 1/20 0.46
SLC6A3 known ✓ Q01959 1/20 0.46
HDAC1 known ✓ Q13547 1/20 0.46
HDAC7 known ✓ Q8WUI4 1/20 0.46
HDAC2 known ✓ Q92769 1/20 0.46
HDAC10 known ✓ Q969S8 1/20 0.46
HDAC11 known ✓ Q96DB2 1/20 0.46
HDAC8 known ✓ Q9BY41 1/20 0.46
HDAC6 known ✓ Q9UBN7 1/20 0.46
HDAC9 known ✓ Q9UKV0 1/20 0.46
HDAC5 known ✓ Q9UQL6 1/20 0.46
S1PR1 known ✓ P21453 2/20 0.46
S1PR3 known ✓ Q99500 2/20 0.46
S1PR2 known ✓ O95136 1/20 0.46
ITGB3 known ✓ P05106 1/20 0.45
ITGA2B known ✓ P08514 1/20 0.45

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 SCHEMBL8475325 1.00 MAPT (0.51) MAPTRXFP1SIGMAR1TAAR1SLC18A2
Hydrochloric Acid SCHEMBL3487964 0.98 MAPT (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL7603758 0.98 MAPT (0.53) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL3392456 0.97 MAPT (0.56) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL13018307 0.97 MAPT (0.56) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL13311947 0.97 MAPT (0.56) MAPTRXFP1SIGMAR1TAAR1SLC18A2
Hydrochloric Acid SCHEMBL3487407 0.95 HSD17B10 (0.53) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL11235453 0.94 HSD17B10 (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL3391414 0.94 HSD17B10 (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL13311943 0.94 HSD17B10 (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976812-A Activated amphetamines ROCHE DIAGNOSTICS GMBH (DE) 1999-11-02 US disclosed