SCHEMBL19917738

SCHEMBL19917738

CC(C)N(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)nc2)ccn1)Sc1ccc(F)cc1

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
SCHEMBL19917783 0.85 TRPA1 (0.51) TRPA1
SCHEMBL16894116 0.84 TRPA1 (0.78) TRPA1
SCHEMBL19917737 0.83 TRPA1 (0.57) TRPA1
SCHEMBL19917703 0.77 TRPA1 (0.51) TRPA1
SCHEMBL19917696 0.76 TRPA1 (0.48) TRPA1
SCHEMBL19917730 0.76 TRPA1 (0.44) TRPA1
SCHEMBL19917750 0.73 TRPA1 (0.53) TRPA1
SCHEMBL19917756 0.73 TRPA1 (0.46) TRPA1
SCHEMBL19917691 0.73 KDM1A (0.45) TRPA1
SCHEMBL19917662 0.73 TRPA1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
Send feedback