SCHEMBL16635131

SCHEMBL16635131

N#Cc1cnc(CNC(=O)[C@H]2C[C@@H](F)CN2C(=O)O)cc1-c1ccc(C(F)(F)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
SCHEMBL16635405 1.00 TRPA1 (0.73) TRPA1
SCHEMBL16635129 1.00 TRPA1 (0.73) TRPA1
SCHEMBL16635444 0.92 TRPA1 (0.75) TRPA1
SCHEMBL17959583 0.92 TRPA1 (0.75) TRPA1
SCHEMBL16647947 0.89 TRPA1 (0.68) TRPA1
SCHEMBL17959601 0.86 TRPA1 (0.55) TRPA1
SCHEMBL16635070 0.86 TRPA1 (0.55) TRPA1
SCHEMBL16635069 0.86 TRPA1 (0.55) TRPA1
SCHEMBL16635107 0.85 TRPA1 (0.73) TRPA1
SCHEMBL17959680 0.85 TRPA1 (0.73) 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