SCHEMBL16635001

SCHEMBL16635001

O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(S(=O)(=O)Cc2ccccc2)n1)C1CC(F)CN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.73

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
SCHEMBL16647982 1.00 TRPA1 (0.73) TRPA1
SCHEMBL16635004 0.92 TRPA1 (0.75) TRPA1
SCHEMBL16647983 0.92 TRPA1 (0.75) TRPA1
SCHEMBL893252 0.89 TRPA1 (0.58) TRPA1
SCHEMBL893455 0.89 TRPA1 (0.58) TRPA1
SCHEMBL16647910 0.87 TRPA1 (0.72) TRPA1
SCHEMBL16635642 0.87 TRPA1 (0.72) TRPA1
SCHEMBL16648110 0.85 TRPA1 (0.82) TRPA1
SCHEMBL16647739 0.85 TRPA1 (1.00) TRPA1
SCHEMBL16635203 0.85 TRPA1 (1.00) TRPA1

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-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed