Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4869417

CN(C)C[C@@H]1CCCCC[C@H]1c1cccnc1.Cl

nearest known ligand 0.50

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
CHRNA7 known ✓ P36544 5/20 0.43
CHRNB4 known ✓ P30926 2/20 0.40
CHRNA3 known ✓ P32297 2/20 0.40
HTR3E known ✓ A5X5Y0 1/20 0.40
HTR3B known ✓ O95264 1/20 0.40
CHRNA1 known ✓ P02708 1/20 0.40
CHRNG known ✓ P07510 1/20 0.40
CHRNB1 known ✓ P11230 1/20 0.40
PTGS1 known ✓ P23219 1/20 0.40
HTR3A known ✓ P46098 1/20 0.40
CHRNE known ✓ Q04844 1/20 0.40
CHRND known ✓ Q07001 1/20 0.40
HTR3D known ✓ Q70Z44 1/20 0.40
HTR3C known ✓ Q8WXA8 1/20 0.40
CYP11B2 P19099 1/20 0.50
CYP2A6 P11509 3/20 0.43
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42

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 SCHEMBL4860376 1.00 CYP11B2 (0.50) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4860381 1.00 CYP11B2 (0.50) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4871203 1.00 CYP11B2 (0.50) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4867465 0.99 CYP11B2 (0.47) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL5205025 0.99 CYP11B2 (0.51) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL4869068 0.99 CYP11B2 (0.51) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL5241494 0.99 CYP11B2 (0.51) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4868851 0.99 CYP11B2 (0.47) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4867457 0.99 CYP11B2 (0.47) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL4871259 0.99 CYP11B2 (0.51) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7

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-7384961-B2 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants GRUENENTHAL GMBH (DE) 2008-06-10 US disclosed
US-20060025456-A1 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants GRUENENTHAL GMBH (DE) 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060025456-A1 Saturated and unsaturated heteroarylcycloalkylmethyl amines as anti-depressants OPRK1, OPRM1, HTR1A CHRNA7 93/4885CHRNB4 392/4885CHRNA3 76/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.