SCHEMBL16635398

SCHEMBL16635398

O=C(NCc1cc(-c2ccc(C(F)(F)F)c(F)c2)ncn1)[C@H]1[C@H](O)CCN1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.64

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
SCHEMBL17959541 1.00 TRPA1 (0.64) TRPA1
SCHEMBL17959599 0.91 TRPA1 (0.71) TRPA1
SCHEMBL16647888 0.89 TRPA1 (0.59) TRPA1
SCHEMBL16635080 0.89 TRPA1 (0.59) TRPA1
SCHEMBL17959594 0.86 TRPA1 (0.64) TRPA1
SCHEMBL17959655 0.86 TRPA1 (0.64) TRPA1
SCHEMBL16635006 0.82 TRPA1 (0.61) TRPA1
SCHEMBL16647894 0.80 TRPA1 (0.65) TRPA1
SCHEMBL17959692 0.80 TRPA1 (0.65) TRPA1
SCHEMBL16647760 0.78 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