SCHEMBL3721065

SCHEMBL3721065

NC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.63

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
SCHEMBL3139377 0.92 SCN9A (0.72) SCN9A
SCHEMBL24518040 0.86 SCN9A (0.55) SCN9A
SCHEMBL17350078 0.84 CTSA (0.51) SCN9A
SCHEMBL3131628 0.84 SCN9A (0.51) SCN9A
SCHEMBL28876906 0.82 SCN9A (0.62) SCN9A
SCHEMBL3134594 0.81 SCN10A (0.60) SCN9A
SCHEMBL16129931 0.80 SCN9A (0.56) SCN9A
SCHEMBL29911672 0.80 SCN9A (0.57) SCN9A
SCHEMBL28052676 0.80 SCN9A (0.57) SCN9A
SCHEMBL16129942 0.80 ALDH1A1 (0.62) SCN9A

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 5 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
CN-107108568-A Pesticidally active amide heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2017-08-29 CN disclosed
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