SCHEMBL793333

SCHEMBL793333

OCC(O)c1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.72

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
SCHEMBL10284693 1.00 SCN9A (0.72) SCN9A
SCHEMBL792090 1.00 SCN9A (0.72) SCN9A
SCHEMBL787751 1.00 SCN9A (0.72) SCN9A
SCHEMBL805903 0.86 SCN9A (0.71) SCN9A
SCHEMBL21236974 0.85 SCN9A (0.69) SCN9A
SCHEMBL21236906 0.84 SCN9A (0.65) SCN9A
SCHEMBL787725 0.84 SCN9A (1.00) SCN9A
SCHEMBL21237098 0.84 SCN9A (0.69) SCN9A
SCHEMBL787548 0.84 SCN9A (1.00) SCN9A
SCHEMBL787549 0.84 SCN9A (1.00) 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-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed