SCHEMBL16635266

SCHEMBL16635266

COC(=O)c1cnc(CNC(=O)C2CC(F)CN2C(=O)OC(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.51

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
SCHEMBL16647872 1.00 TRPA1 (0.51) TRPA1
SCHEMBL16635347 0.93 TRPA1 (0.52) TRPA1
SCHEMBL16647873 0.93 TRPA1 (0.52) TRPA1
SCHEMBL16647945 0.92 TRPA1 (0.51) TRPA1
SCHEMBL16635255 0.92 TRPA1 (0.58) TRPA1
SCHEMBL16647951 0.92 TRPA1 (0.58) TRPA1
SCHEMBL20113082 0.92 TRPA1 (0.58) TRPA1
SCHEMBL17987166 0.90 TRPA1 (0.47) TRPA1
SCHEMBL16647947 0.87 TRPA1 (0.68) TRPA1
SCHEMBL16647997 0.86 TRPA1 (0.51) 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