SCHEMBL16635027

SCHEMBL16635027

O=C(NCc1cc(-c2ccc(C(F)(F)F)nc2)c(Cl)cn1)[C@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 1.00

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
SCHEMBL16635026 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16647854 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16647781 0.93 TRPA1 (1.00) TRPA1
SCHEMBL16635216 0.93 TRPA1 (1.00) TRPA1
SCHEMBL21715976 0.93 TRPA1 (0.87) TRPA1
SCHEMBL16634950 0.92 TRPA1 (1.00) TRPA1
SCHEMBL16648108 0.92 TRPA1 (0.84) TRPA1
SCHEMBL16648112 0.91 TRPA1 (0.87) TRPA1
SCHEMBL16647849 0.91 TRPA1 (1.00) TRPA1
SCHEMBL16637597 0.91 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