SCHEMBL16634848

SCHEMBL16634848

O=C(NCc1ccnc(-c2ccc(OC(F)F)cc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccccc1F

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.78

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
SCHEMBL16634850 0.88 TRPA1 (1.00) TRPA1
SCHEMBL16647877 0.77 TRPA1 (1.00) TRPA1
SCHEMBL16635045 0.76 TRPA1 (1.00) TRPA1
SCHEMBL16647722 0.76 TRPA1 (1.00) TRPA1
SCHEMBL21715973 0.76 TRPA1 (0.78) TRPA1
SCHEMBL16647741 0.72 TRPA1 (1.00) TRPA1
SCHEMBL16635372 0.72 TRPA1 (1.00) TRPA1
SCHEMBL16635181 0.71 TRPA1 (1.00) TRPA1
SCHEMBL18223590 0.70 TRPA1 (0.59) TRPA1
SCHEMBL18236535 0.70 TRPA1 (0.59) 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