Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7384604

Cl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCC1

nearest known ligand 0.98

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 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 14/20 0.95
GAA known ✓ P10253 1/20 0.68
MEN1 O00255 3/20 0.98
KMT2A Q03164 3/20 0.98
ALDH1A1 P00352 2/20 0.95
CYP1A2 P05177 1/20 0.95
CYP3A4 P08684 1/20 0.95
CYP2D6 P10635 1/20 0.95
CYP2C9 P11712 1/20 0.95
PKM P14618 1/20 0.95
CYP2C19 P33261 1/20 0.95
PRCP P42785 1/20 0.95
TMEM97 Q5BJF2 1/20 0.95
MAPK1 P28482 1/20 0.80

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 SCHEMBL7381926 0.99 MEN1 (1.00) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL5564153 0.98 SIGMAR1 (1.00) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7385268 0.95 MEN1 (0.88) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7377177 0.89 MAPK1 (1.00) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7378086 0.89 MAPK1 (1.00) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7377040 0.89 MAPK1 (1.00) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL11120309 0.88 SIGMAR1 (0.79) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8097430 0.87 MEN1 (0.95) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL9637705 0.87 MAPK1 (0.97) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7380625 0.86 MEN1 (0.92) MEN1KMT2ASIGMAR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223530-A Selective high-affinity ligands for treatment of psychological disorders, side effect reduction SRI, INTERNATIONAL (US) 1993-06-29 US disclosed
EP-0495084-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-07-22 EP disclosed
WO-1992002481-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-02-20 WO disclosed
US-5086054-A Selective high-affinity ligands to sigma boding sites, administering, amipsychotic, antiarrhythmia, antiischemic agents anticonvulsants, reduced side effects SRI INTERNATIONAL (US) 1992-02-04 US disclosed