Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9871597

Cc1ccc(CCCN2CCN(CCOCc3ccccc3OCc3ccccc3)CC2)cc1.Cl.Cl

nearest known ligand 0.56

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 0.53
▸ HTR2A known ✓ P28223 2/20 0.49
▸ HTR7 known ✓ P34969 2/20 0.49
▸ ADRA1A known ✓ P35348 2/20 0.49
▸ HTR6 known ✓ P50406 2/20 0.49
▸ DRD2 known ✓ P14416 1/20 0.49
▸ KCNH2 known ✓ Q12809 2/20 0.48
▸ HTR1A known ✓ P08908 1/20 0.47
▸ SLC6A2 known ✓ P23975 3/20 0.47
▸ SLC6A4 known ✓ P31645 3/20 0.47
▸ SLC6A3 known ✓ Q01959 3/20 0.47
▸ OPRM1 known ✓ P35372 1/20 0.47
▸ OPRK1 known ✓ P41145 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GMNN O75496 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ BLM P54132 2/20 0.48

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 SCHEMBL7280212 0.87 SIGMAR1 (0.59) SIGMAR1HTR2AHTR7ADRA1AHTR6
Hydrochloric Acid SCHEMBL9647672 0.87 SIGMAR1 (0.50) SIGMAR1HTR2AHTR7ADRA1AHTR6
Hydrochloric Acid SCHEMBL10432857 0.86 SIGMAR1 (0.63) SIGMAR1DRD2KCNH2
Hydrochloric Acid SCHEMBL467279 0.79 SIGMAR1 (0.71) SIGMAR1KCNH2ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7288768 0.79 SLC6A4 (0.54) SIGMAR1HTR2AHTR7DRD2KCNH2
SCHEMBL5708578 0.78 SIGMAR1 (0.73) SIGMAR1KCNH2ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10338914 0.78 ALDH1A1 (0.49) SIGMAR1HTR2AHTR7ADRA1AHTR6
Hydrochloric Acid SCHEMBL9869458 0.78 SIGMAR1 (0.59) SIGMAR1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL13940131 0.77 PTGER1 (0.68) DRD2HTR1AMAPK1TDP1MAPT
Hydrochloric Acid SCHEMBL7287043 0.77 SIGMAR1 (0.56) SIGMAR1HTR2AHTR7DRD2KCNH2

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-5051424-A Substituted aromatic compounds having an action on the central nervous system AKZO N.V. (NL) 1991-09-24 — — US disclosed
EP-0365064-A1 Substituted aromatic compounds having an action on the central nervous system AKZO N.V. (NL) 1990-04-25 — — EP disclosed
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