SCHEMBL805932

SCHEMBL805932

CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(N)cc3)cc2)cc(C(N)=O)n1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.82
MCL1 Q07820 2/20 0.44

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
SCHEMBL29421436 0.90 SCN9A (1.00) SCN9A
SCHEMBL787983 0.90 SCN9A (1.00) SCN9A
SCHEMBL787580 0.87 SCN9A (1.00) SCN9A
SCHEMBL787306 0.87 SCN9A (1.00) SCN9A
SCHEMBL21236863 0.85 SCN9A (0.75) SCN9A
SCHEMBL805997 0.82 SCN9A (0.82) SCN9AMCL1
SCHEMBL787211 0.81 SCN9A (1.00) SCN9A
SCHEMBL29421451 0.81 SCN9A (1.00) SCN9AMCL1
SCHEMBL787144 0.81 SCN9A (1.00) SCN9AMCL1
SCHEMBL787445 0.76 SCN9A (0.74) 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