SCHEMBL3721092

SCHEMBL3721092

CC(Nc1nc(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.50
FPR2 P25090 3/20 0.50
IDH1 O75874 1/20 0.44
PDE2A O00408 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
LRRK2 Q5S007 2/20 0.42
MAPK14 Q16539 2/20 0.42
LDHB P07195 2/20 0.41
KCNH3 Q9ULD8 1/20 0.41
LDHA P00338 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
SCHEMBL3723208 0.86 ADORA2B (0.50) SCN9AFPR2
SCHEMBL3722944 0.86 FPR2 (0.50) SCN9AFPR2LDHBLDHA
SCHEMBL3724700 0.81 SCN9A (0.51) SCN9AFPR2
SCHEMBL3722100 0.81 SCN9A (0.52) SCN9AFPR2
SCHEMBL3721096 0.81 IDH1 (0.46) IDH1MAPK14KCNH3
SCHEMBL1733575 0.80 FPR2 (0.55) SCN9AFPR2POLBMAPT
SCHEMBL3721016 0.80 SCN9A (0.48) SCN9AFPR2
SCHEMBL3727419 0.79 SCN9A (0.52) SCN9AFPR2
SCHEMBL3725438 0.76 SCN9A (0.47) SCN9AFPR2IDH1
SCHEMBL1735518 0.74 KDM4E (0.50) SCN9AFPR2POLB

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