SCHEMBL16635245

SCHEMBL16635245

Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(CNC(=O)[C@H]2[C@H](O)CCN2C(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.61

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
SCHEMBL17959588 1.00 TRPA1 (0.61) TRPA1
SCHEMBL17959553 0.91 TRPA1 (0.68) TRPA1
SCHEMBL16648039 0.89 TRPA1 (0.57) TRPA1
SCHEMBL16635183 0.82 TRPA1 (0.70) TRPA1
SCHEMBL16648033 0.80 TRPA1 (0.64) TRPA1
SCHEMBL17959665 0.79 TRPA1 (0.47) TRPA1
SCHEMBL16635053 0.79 TRPA1 (0.47) TRPA1
SCHEMBL16647779 0.76 TRPA1 (1.00) TRPA1
SCHEMBL16635014 0.75 TRPA1 (0.57) TRPA1
SCHEMBL16648122 0.75 TRPA1 (0.57) 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