Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10432858

COc1ccccc1CCCN1CCN(CCOC(OCc2ccccc2)c2ccccc2)CC1.Cl.Cl

nearest known ligand 0.74

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 7/20 0.61
▸ KCNH2 known ✓ Q12809 3/20 0.57
▸ SLC6A2 known ✓ P23975 4/20 0.54
▸ SLC6A4 known ✓ P31645 4/20 0.54
▸ SLC6A3 known ✓ Q01959 4/20 0.54
▸ OPRM1 known ✓ P35372 1/20 0.51
▸ OPRK1 known ✓ P41145 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ GMNN O75496 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ PMP22 Q01453 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MAPK1 P28482 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54

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 SCHEMBL10432884 0.83 SMN1; SMN2 (0.65) SIGMAR1KCNH2SMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL10432857 0.81 SIGMAR1 (0.63) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1325164 0.78 SIGMAR1 (0.97) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL9647748 0.77 SIGMAR1 (0.59) SIGMAR1KCNH2ALDH1A1MAPT
SCHEMBL12107196 0.76 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL9646395 0.75 SIGMAR1 (0.58) SIGMAR1KCNH2
SCHEMBL7923985 0.73 HRH3 (0.82) SIGMAR1KCNH2MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL339982 0.72 SMN1; SMN2 (1.00) SIGMAR1KCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL726349 0.71 SLC6A2 (1.00) SIGMAR1KCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL23926367 0.70 SIGMAR1 (0.65) SIGMAR1KCNH2CYP2D6TSHRTDP1

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
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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