SCHEMBL14744395

SCHEMBL14744395

NCC(C=O)Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.70
FPR2 P25090 15/20 0.70

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
SCHEMBL14743562 1.00 SCN9A (0.70) SCN9AFPR2
SCHEMBL16013028 0.91 FPR2 (0.59) SCN9AFPR2
SCHEMBL14743814 0.91 SCN9A (0.70) SCN9AFPR2
SCHEMBL16013144 0.91 FPR2 (0.59) SCN9AFPR2
SCHEMBL16012954 0.91 SCN9A (0.70) SCN9AFPR2
SCHEMBL16013636 0.91 FPR2 (0.59) SCN9AFPR2
SCHEMBL14743165 0.90 SCN9A (0.73) SCN9AFPR2
SCHEMBL16013806 0.90 SCN9A (0.73) SCN9AFPR2
SCHEMBL14743594 0.89 SCN9A (0.71) SCN9AFPR2
SCHEMBL16013366 0.89 SCN9A (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964639-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2016-01-13 EP disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 WO disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed