SCHEMBL16634885

SCHEMBL16634885

O=C(NCc1cc(F)nc(-c2ccc(C(F)(F)F)nc2)c1)[C@H]1C[C@@H](F)CN1C(=O)O

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
SCHEMBL17959671 1.00 TRPA1 (0.75) TRPA1
SCHEMBL17959509 0.95 TRPA1 (0.73) TRPA1
SCHEMBL16635229 0.91 TRPA1 (0.75) TRPA1
SCHEMBL16647946 0.89 TRPA1 (0.69) TRPA1
SCHEMBL16647767 0.86 TRPA1 (1.00) TRPA1
SCHEMBL16647970 0.83 TRPA1 (0.67) TRPA1
SCHEMBL17959564 0.83 TRPA1 (0.67) TRPA1
SCHEMBL16635275 0.81 TRPA1 (1.00) TRPA1
SCHEMBL16634851 0.80 TRPA1 (0.71) TRPA1
SCHEMBL16635243 0.80 TRPA1 (0.71) 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