SCHEMBL9954579

SCHEMBL9954579

NC[C@@H](C=O)Nc1cc(C(N)=O)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.68
FPR2 P25090 10/20 0.52

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
SCHEMBL14743206 0.88 SCN9A (0.68) SCN9AFPR2
SCHEMBL14743717 0.88 SCN9A (0.68) SCN9AFPR2
SCHEMBL14743234 0.84 SCN9A (0.71) SCN9AFPR2
SCHEMBL14743594 0.84 SCN9A (0.71) SCN9AFPR2
SCHEMBL16013366 0.84 SCN9A (0.71) SCN9AFPR2
SCHEMBL14743201 0.82 SCN9A (0.68) SCN9AFPR2
SCHEMBL14743585 0.82 SCN9A (0.68) SCN9AFPR2
SCHEMBL9953868 0.81 SCN9A (1.00) SCN9AFPR2
SCHEMBL9953873 0.81 SCN9A (1.00) SCN9AFPR2
SCHEMBL14743550 0.80 SCN9A (0.67) 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
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed