SCHEMBL16635159

SCHEMBL16635159

O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)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
SCHEMBL16647830 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16648102 0.92 TRPA1 (0.84) TRPA1
SCHEMBL16647729 0.90 TRPA1 (1.00) TRPA1
SCHEMBL16635388 0.90 TRPA1 (1.00) TRPA1
SCHEMBL17986777 0.89 TRPA1 (0.84) TRPA1
SCHEMBL16648083 0.89 TRPA1 (0.86) TRPA1
SCHEMBL16647884 0.88 TRPA1 (1.00) TRPA1
SCHEMBL20113124 0.88 TRPA1 (0.78) TRPA1
SCHEMBL16635025 0.87 TRPA1 (1.00) TRPA1
SCHEMBL16634901 0.87 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