SCHEMBL14744295

SCHEMBL14744295

COCC(C=O)Nc1cc(-c2ccc(Oc3ccc(F)cc3)cc2)nc(C(=O)OC)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.56
FPR2 P25090 5/20 0.56
PLA2G2A P14555 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
SCHEMBL14743527 1.00 SCN9A (0.56) SCN9AFPR2PLA2G2A
SCHEMBL14743168 0.83 SCN9A (0.68) SCN9AFPR2
SCHEMBL14744111 0.82 SCN9A (0.72) SCN9AFPR2
SCHEMBL14744112 0.82 SCN9A (0.72) SCN9AFPR2
SCHEMBL14743717 0.81 SCN9A (0.68) SCN9AFPR2
SCHEMBL14743206 0.81 SCN9A (0.68) SCN9AFPR2
SCHEMBL19138164 0.80 SCN9A (0.63) SCN9AFPR2
SCHEMBL14743899 0.80 SCN9A (0.68) SCN9AFPR2
SCHEMBL19072263 0.79 SCN9A (0.53) SCN9AFPR2PLA2G2A
SCHEMBL16012458 0.78 SCN9A (0.70) 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