SCHEMBL16635096

SCHEMBL16635096

CC1(F)CC(C(=O)NCc2cc(-c3ccc(OC(F)(F)F)cc3)ncn2)N(S(=O)(=O)c2ccc(F)cc2)C1

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
SCHEMBL16647863 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16647934 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16635016 0.89 TRPA1 (1.00) TRPA1
SCHEMBL16648022 0.89 TRPA1 (1.00) TRPA1
SCHEMBL16647753 0.89 TRPA1 (1.00) TRPA1
SCHEMBL894142 0.86 TRPA1 (0.78) TRPA1
SCHEMBL16635242 0.84 TRPA1 (1.00) TRPA1
SCHEMBL16635553 0.84 TRPA1 (1.00) TRPA1
SCHEMBL16635124 0.83 TRPA1 (0.71) TRPA1
SCHEMBL893944 0.82 TRPA1 (0.74) 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