SCHEMBL3721067

SCHEMBL3721067

NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 9/20 0.54
SCN9A Q15858 7/20 0.46
DPP4 P27487 1/20 0.43
LTA4H P09960 1/20 0.43
KIF11 P52732 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL15244774 0.85 TRPV3 (0.53) TRPV3SCN9AMAOB
SCHEMBL2302878 0.84 CTSS (0.56) TRPV3MAOB
SCHEMBL27371412 0.83 TRPV3 (0.54) TRPV3SCN9ALTA4HKIF11
SCHEMBL4592059 0.83 TRPV3 (0.61) TRPV3SCN9A
SCHEMBL4831269 0.83 TRPV3 (0.54) TRPV3SCN9ALTA4HKIF11
SCHEMBL30755490 0.83 TRPV3 (0.54) TRPV3SCN9ALTA4HKIF11
SCHEMBL4592336 0.83 TRPV3 (0.54) TRPV3SCN9ALTA4HKIF11
SCHEMBL28199041 0.80 HRH3 (0.50) LTA4H
SCHEMBL1239870 0.78 MEN1 (0.60) TRPV3
SCHEMBL10649352 0.77 IRAK4 (0.42) LTA4H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed