Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5729464

O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1NC1CCN(c2cc[n+](CCCl)cc2)CC1.[Cl-]

nearest known ligand 0.46

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 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.46
TPSAB1 Q15661 3/20 0.38
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL5729098 0.86 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729796 0.85 F10 (0.61) F10
SCHEMBL5729414 0.81 F10 (0.51) F10HTR7HTR6
SCHEMBL5729294 0.81 F10 (0.51) F10
Hydrochloric Acid SCHEMBL5729622 0.80 F10 (0.51) F10HTR7HTR6
Hydrochloric Acid SCHEMBL5729499 0.79 F10 (0.42) F10
Hydrochloric Acid SCHEMBL5729459 0.79 F10 (0.42) F10
SCHEMBL5729816 0.78 F10 (0.61) F10
SCHEMBL5729659 0.77 F10 (0.43) F10
Hydrochloric Acid SCHEMBL7535015 0.77 F10 (0.43) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed