Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28068037

COC(=O)C1CN(Cc2ccccc2)CCC1=O.[Cl-].[H+]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 15)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 6/20 0.51
CHRM2 known ✓ P08172 1/20 0.44
CHRM1 known ✓ P11229 1/20 0.44
CHRM3 known ✓ P20309 1/20 0.44
ACHE known ✓ P22303 1/20 0.43
SCN4A P35499 2/20 0.45
MCHR1 Q99705 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 1/20 0.43
MAOB P27338 1/20 0.43
FKBP1A P62942 1/20 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
SCHEMBL30994721 0.97 TACR1 (0.53) TACR1SCN4AMCHR1CHRM2CHRM4
SCHEMBL1339973 0.97 TACR1 (0.53) TACR1SCN4AMCHR1CHRM2CHRM4
Hydrochloric Acid SCHEMBL719130 0.96 TACR1 (0.54) TACR1SCN4AMCHR1CHRM2CHRM4
SCHEMBL26703594 0.86 S1PR1 (0.45) TACR1BCHEACHE
SCHEMBL2239996 0.86 TACR1 (0.48) TACR1
SCHEMBL2237347 0.86 ALDH1A1 (0.49) SIGMAR1
SCHEMBL22634122 0.85 OPRM1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL159259 0.85 L3MBTL1 (0.54) TACR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8126942 0.84 CHRM2 (0.47) MCHR1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL1000168 0.84 L3MBTL1 (0.53) TACR1CHRM2CHRM4CHRM5CHRM1

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
CN-105925200-A Silicone sealant for automotive chassis 烟台图文马克化工科技有限公司 2016-09-07 CN disclosed