SCHEMBL3722100

SCHEMBL3722100

CC(C)C(CO)Nc1nc(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.52
FPR2 P25090 3/20 0.50
TRPV3 Q8NET8 5/20 0.48
CYP11B2 P19099 1/20 0.42

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
SCHEMBL3722102 0.83 TRPV3 (0.53) TRPV3CYP11B2
SCHEMBL3724700 0.81 SCN9A (0.51) SCN9AFPR2
SCHEMBL3727419 0.81 SCN9A (0.52) SCN9AFPR2
SCHEMBL3721092 0.81 SCN9A (0.50) SCN9AFPR2
SCHEMBL3721016 0.80 SCN9A (0.48) SCN9AFPR2
SCHEMBL3725438 0.78 SCN9A (0.47) SCN9AFPR2
SCHEMBL3723208 0.78 ADORA2B (0.50) SCN9AFPR2
SCHEMBL3717581 0.76 PTGS1 (0.56) SCN9AFPR2
SCHEMBL3727125 0.74 PTGS2 (0.48) SCN9AFPR2
SCHEMBL3727410 0.74 SCN9A (0.53) SCN9AFPR2

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
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