SCHEMBL16634983

SCHEMBL16634983

O=C(NCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)C1CC(O)CN1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.56

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
SCHEMBL16635381 0.91 TRPA1 (0.60) TRPA1
SCHEMBL16635383 0.91 TRPA1 (0.60) TRPA1
SCHEMBL16647764 0.91 TRPA1 (0.60) TRPA1
Hydrochloric Acid SCHEMBL16635054 0.90 TRPA1 (0.59) TRPA1
SCHEMBL28242962 0.90 TRPA1 (0.60) TRPA1
SCHEMBL18236575 0.86 TRPA1 (0.61) TRPA1
SCHEMBL16985312 0.84 TRPA1 (0.60) TRPA1
SCHEMBL20113118 0.83 TRPA1 (0.57) TRPA1
SCHEMBL20113119 0.83 TRPA1 (0.57) TRPA1
SCHEMBL16635868 0.83 TRPA1 (0.56) 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