SCHEMBL16635302

SCHEMBL16635302

Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CNC(=O)C1CC(F)CN1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.57

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
SCHEMBL16648004 1.00 TRPA1 (0.57) TRPA1
Hydrochloric Acid SCHEMBL16635148 0.99 TRPA1 (0.57) TRPA1
Hydrochloric Acid SCHEMBL17959582 0.99 TRPA1 (0.57) TRPA1
Hydrochloric Acid SCHEMBL16635150 0.99 TRPA1 (0.57) TRPA1
SCHEMBL16648028 0.89 TRPA1 (0.57) TRPA1
SCHEMBL16635689 0.88 TRPA1 (0.59) TRPA1
SCHEMBL16635686 0.88 TRPA1 (0.59) TRPA1
SCHEMBL16648075 0.88 TRPA1 (0.59) TRPA1
Hydrochloric Acid SCHEMBL16635707 0.88 TRPA1 (0.57) TRPA1
Hydrochloric Acid SCHEMBL16635705 0.88 TRPA1 (0.57) 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