SCHEMBL16634880

SCHEMBL16634880

O=C(NCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)[C@H]1C[C@@H](O)CN1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.62

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
SCHEMBL17959630 1.00 TRPA1 (0.62) TRPA1
SCHEMBL16647907 0.88 TRPA1 (0.58) TRPA1
SCHEMBL17959632 0.84 TRPA1 (0.60) TRPA1
SCHEMBL16634895 0.82 TRPA1 (0.72) TRPA1
SCHEMBL17959635 0.82 TRPA1 (0.71) TRPA1
SCHEMBL17959594 0.82 TRPA1 (0.64) TRPA1
SCHEMBL17959655 0.82 TRPA1 (0.64) TRPA1
SCHEMBL17959504 0.82 TRPA1 (0.72) TRPA1
SCHEMBL17959550 0.82 TRPA1 (0.63) TRPA1
SCHEMBL17959535 0.81 TRPA1 (0.72) 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