SCHEMBL16648259

SCHEMBL16648259

CCN(C(C(=O)NCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)C(C)C(C)F)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.70

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
SCHEMBL16648084 0.94 TRPA1 (0.71) TRPA1
SCHEMBL16647736 0.91 TRPA1 (0.68) TRPA1
SCHEMBL16894196 0.83 TRPA1 (1.00) TRPA1
SCHEMBL16894159 0.81 TRPA1 (0.84) TRPA1
SCHEMBL16894201 0.77 TRPA1 (1.00) TRPA1
SCHEMBL17987061 0.75 TRPA1 (0.62) TRPA1
SCHEMBL16894252 0.75 TRPA1 (1.00) TRPA1
SCHEMBL16894185 0.75 TRPA1 (0.61) TRPA1
SCHEMBL16894184 0.75 TRPA1 (0.61) TRPA1
SCHEMBL16894128 0.74 TRPA1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed