SCHEMBL19794797

SCHEMBL19794797

NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.34
TRPV3 Q8NET8 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
Hydrochloric Acid SCHEMBL29411215 0.98 TRPA1 (0.33) TRPA1TRPV3ALOX5APFEN1
Hydrochloric Acid SCHEMBL20971485 0.98 TRPA1 (0.33) TRPA1TRPV3ALOX5APFEN1
SCHEMBL16635524 0.84 TRPA1 (0.40) TRPA1TRPV3ALOX5APFEN1
SCHEMBL29411263 0.84 TRPA1 (0.38) TRPA1TRPV3
SCHEMBL18018374 0.84 TRPA1 (0.38) TRPA1TRPV3
SCHEMBL16635018 0.83 TRPA1 (0.40) TRPA1TRPV3
SCHEMBL18018427 0.83 TRPA1 (0.32) TRPA1TRPV3
Hydrochloric Acid SCHEMBL17979196 0.83 TRPA1 (0.38) TRPA1TRPV3
SCHEMBL16635230 0.83 TRPA1 (0.40) TRPA1TRPV3
SCHEMBL18018444 0.82 TRPV3 (0.32) TRPA1TRPV3

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-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
WO-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO disclosed