SCHEMBL16635052

SCHEMBL16635052

N#Cc1cnc(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)C1CC(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
SCHEMBL16648253 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16647780 0.93 TRPA1 (1.00) TRPA1
SCHEMBL16647737 0.93 TRPA1 (1.00) TRPA1
SCHEMBL16635395 0.93 TRPA1 (1.00) TRPA1
SCHEMBL16635740 0.90 TRPA1 (1.00) TRPA1
SCHEMBL18018468 0.89 TRPA1 (0.87) TRPA1
SCHEMBL20113196 0.89 TRPA1 (1.00) TRPA1
SCHEMBL16647751 0.89 TRPA1 (1.00) TRPA1
SCHEMBL20113258 0.88 TRPA1 (0.78) TRPA1
SCHEMBL18018412 0.87 TRPA1 (0.77) 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