SCHEMBL369039

SCHEMBL369039

COC(=O)c1cc(C(O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.77

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
SCHEMBL369038 1.00 SCN9A (0.77) SCN9A
SCHEMBL368401 0.88 SCN9A (0.81) SCN9A
SCHEMBL368520 0.88 SCN9A (0.81) SCN9A
SCHEMBL368402 0.88 SCN9A (0.81) SCN9A
SCHEMBL15383822 0.88 SCN9A (0.57) SCN9A
SCHEMBL787721 0.87 SCN9A (1.00) SCN9A
SCHEMBL787722 0.87 SCN9A (1.00) SCN9A
SCHEMBL793340 0.87 SCN9A (1.00) SCN9A
SCHEMBL364424 0.82 SCN9A (0.59) SCN9A
SCHEMBL17049435 0.81 SCN9A (0.88) SCN9A

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-2593434-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-05-22 EP disclosed
WO-2012007836-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA .LP. (US) 2012-01-19 WO disclosed