SCHEMBL805933

SCHEMBL805933

NCCN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.84

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
SCHEMBL787843 0.91 SCN9A (1.00) SCN9A
SCHEMBL29421478 0.89 SCN9A (0.89) SCN9A
SCHEMBL787201 0.89 SCN9A (0.89) SCN9A
SCHEMBL17082881 0.89 SCN9A (1.00) SCN9A
SCHEMBL787438 0.89 SCN9A (1.00) SCN9A
SCHEMBL21236893 0.86 SCN9A (0.83) SCN9A
SCHEMBL805902 0.84 SCN9A (0.80) SCN9A
SCHEMBL787425 0.84 SCN9A (1.00) SCN9A
SCHEMBL29421429 0.83 SCN9A (1.00) SCN9A
SCHEMBL787559 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed