SCHEMBL16634980

SCHEMBL16634980

CN(C(=O)[C@@H]1C[C@@H](F)CN1C(C)(C)C)c1cc(-c2ccc(C(F)(F)F)nc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.46

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
SCHEMBL16635182 0.85 TRPA1 (0.45) TRPA1
Hydrochloric Acid SCHEMBL16635056 0.78 TRPA1 (0.39) TRPA1
SCHEMBL17959687 0.76 TRPA1 (0.45) TRPA1
SCHEMBL17959658 0.76 TRPA1 (0.48) TRPA1
SCHEMBL17959651 0.76 TRPA1 (0.48) TRPA1
SCHEMBL16634894 0.75 TRPA1 (0.48) TRPA1
SCHEMBL17959510 0.72 TRPA1 (0.49) TRPA1
SCHEMBL16635057 0.69 TRPA1 (0.41) TRPA1
SCHEMBL17959640 0.69 TRPA1 (0.50) TRPA1
Hydrochloric Acid SCHEMBL16635312 0.69 TRPA1 (0.41) 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