Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6823244

CC(C)CN1C(=O)CSC1c1cc[n+](-c2ccc(Cl)cc2)cc1.[Cl-]

nearest known ligand 0.54

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 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.54
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL6823217 0.89 CACNA1B (0.55) CACNA1B
Hydrochloric Acid SCHEMBL6823843 0.87 CACNA1B (0.53) CACNA1B
SCHEMBL5156506 0.87 CACNA1B (0.61) CACNA1BALDH1A1
Hydrochloric Acid SCHEMBL6820471 0.76 CACNA1B (0.53) CACNA1B
Hydrochloric Acid SCHEMBL6823740 0.76 CACNA1B (0.53) CACNA1B
Hydrochloric Acid SCHEMBL6824097 0.74 CACNA1B (0.41) CACNA1B
SCHEMBL5151508 0.71 CACNA1B (0.64) CACNA1B
SCHEMBL6820434 0.70 CACNA1B (1.00) CACNA1B
SCHEMBL6824172 0.70 CACNA1B (1.00) CACNA1B
SCHEMBL6823052 0.70 CACNA1B (1.00) CACNA1B

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
WO-2004017966-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS IN THE TREATMENT OF CHRONIC AND ACUTE PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO claimed