SCHEMBL14743165

SCHEMBL14743165

NC[C@@H](C=O)Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.73
FPR2 P25090 13/20 0.73

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
SCHEMBL16013806 1.00 SCN9A (0.73) SCN9AFPR2
SCHEMBL14744395 0.90 SCN9A (0.70) SCN9AFPR2
SCHEMBL14743562 0.90 SCN9A (0.70) SCN9AFPR2
SCHEMBL14743808 0.89 FPR2 (0.72) SCN9AFPR2
SCHEMBL14743673 0.88 SCN9A (0.71) SCN9AFPR2
SCHEMBL14743176 0.87 FPR2 (0.72) SCN9AFPR2
SCHEMBL14742363 0.87 FPR2 (0.72) SCN9AFPR2
SCHEMBL14744036 0.85 FPR2 (0.73) SCN9AFPR2
SCHEMBL14743298 0.85 FPR2 (0.73) SCN9AFPR2
SCHEMBL16012973 0.85 SCN9A (0.54) 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
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO claimed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed