Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9205622

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccc(F)cc2)CC1.Cl.Cl

nearest known ligand 0.65

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
▸ NR3C1 known ✓ P04150 9/20 0.65
▸ CHRM1 known ✓ P11229 1/20 0.60
▸ GAA known ✓ P10253 1/20 0.55
▸ HIF1A Q16665 10/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ PGR P06401 2/20 0.65
▸ SERPINA6 P08185 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ NFKB1 P19838 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ SHBG P04278 1/20 0.65
▸ NR3C2 P08235 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ LMNA P02545 2/20 0.61
▸ AR P10275 1/20 0.60
▸ PMP22 Q01453 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ POLB P06746 1/20 0.55

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 SCHEMBL9205611 1.00 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200302 0.99 HIF1A (0.66) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200297 0.99 HIF1A (0.66) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9201448 0.92 HIF1A (0.64) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9206099 0.92 HIF1A (0.64) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200171 0.91 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200163 0.91 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL12397331 0.87 HIF1A (0.74) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9201303 0.86 NR3C1 (0.65) HIF1ANR3C1CYP2C19HSD17B10PGR
Hydrochloric Acid SCHEMBL9201297 0.86 NR3C1 (0.65) HIF1ANR3C1CYP2C19HSD17B10PGR

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
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP disclosed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP disclosed
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