Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7429698

CN(C)CCC(O)(c1ccccc1)C1CCCCC1.Cl

nearest known ligand 0.72

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
CHRM2 known ✓ P08172 7/20 0.60
CHRM1 known ✓ P11229 7/20 0.60
CHRM3 known ✓ P20309 5/20 0.60
KCNH2 known ✓ Q12809 4/20 0.60
CHRM4 known ✓ P08173 4/20 0.60
CHRM5 known ✓ P08912 2/20 0.60
GRIN2D known ✓ O15399 1/20 0.58
GRIN3B known ✓ O60391 1/20 0.58
HRH1 known ✓ P35367 1/20 0.58
GRIN1 known ✓ Q05586 1/20 0.58
GRIN2A known ✓ Q12879 1/20 0.58
GRIN2B known ✓ Q13224 1/20 0.58
GRIN2C known ✓ Q14957 1/20 0.58
GRIN3A known ✓ Q8TCU5 1/20 0.58
HTR1A known ✓ P08908 1/20 0.58
OPRM1 known ✓ P35372 1/20 0.58
SIGMAR1 known ✓ Q99720 1/20 0.58
CYP2D6 P10635 4/20 0.60
MAPT P10636 1/20 0.60
BLM P54132 1/20 0.60

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
SCHEMBL9782807 0.98 CHRM2 (0.62) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7432896 0.92 SMN1; SMN2 (0.60) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7441488 0.92 CHRM2 (0.58) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL7439525 0.91 SMN1; SMN2 (0.57) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL7447206 0.90 CHRM2 (0.59) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL7440855 0.88 CHRM2 (0.57) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7434425 0.86 MEN1 (0.47) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7486757 0.86 TSHR (0.55) CHRM2CHRM1CHRM3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL7436495 0.86 TP53 (0.63) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL9782870 0.84 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP2D6KCNH2

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-4945097-A THERAPY FOR ANOXIA, HYPOXIA, OR ISCHEMIA G. D. SEARLE & CO. (US) 1990-07-31 US disclosed