SCHEMBL16635344

SCHEMBL16635344

O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1)[C@H]1C[C@@H](F)CN1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.70

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
SCHEMBL17959540 1.00 TRPA1 (0.70) TRPA1
SCHEMBL17959642 0.90 TRPA1 (0.74) TRPA1
SCHEMBL16635031 0.90 TRPA1 (0.74) TRPA1
SCHEMBL16635030 0.90 TRPA1 (0.74) TRPA1
SCHEMBL16648079 0.88 TRPA1 (0.65) TRPA1
SCHEMBL16635357 0.84 TRPA1 (0.70) TRPA1
SCHEMBL17959597 0.84 TRPA1 (0.70) TRPA1
SCHEMBL17959691 0.84 TRPA1 (0.70) TRPA1
SCHEMBL16635216 0.83 TRPA1 (1.00) TRPA1
SCHEMBL16647781 0.83 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