SCHEMBL16635004

SCHEMBL16635004

O=C(NCc1cc(-c2ccc(C(F)(F)F)nc2)nc(S(=O)(=O)Cc2ccccc2)n1)C1CC(F)CN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.75

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
SCHEMBL16647983 1.00 TRPA1 (0.75) TRPA1
SCHEMBL16635001 0.92 TRPA1 (0.73) TRPA1
SCHEMBL16647982 0.92 TRPA1 (0.73) TRPA1
SCHEMBL20113376 0.89 TRPA1 (0.70) TRPA1
SCHEMBL16647987 0.87 TRPA1 (0.74) TRPA1
SCHEMBL16648095 0.86 TRPA1 (0.84) TRPA1
SCHEMBL16635280 0.86 TRPA1 (1.00) TRPA1
SCHEMBL16635275 0.85 TRPA1 (1.00) TRPA1
SCHEMBL16647755 0.84 TRPA1 (1.00) TRPA1
SCHEMBL16648056 0.83 TRPA1 (0.87) 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