SCHEMBL805949

SCHEMBL805949

NC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.78

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
SCHEMBL805951 1.00 SCN9A (0.78) SCN9A
SCHEMBL787015 0.91 SCN9A (0.78) SCN9A
SCHEMBL787016 0.91 SCN9A (0.78) SCN9A
SCHEMBL787286 0.88 SCN9A (1.00) SCN9A
SCHEMBL787004 0.88 SCN9A (1.00) SCN9A
SCHEMBL787003 0.88 SCN9A (1.00) SCN9A
SCHEMBL805925 0.88 SCN9A (0.60) SCN9A
SCHEMBL805950 0.85 SCN9A (0.81) SCN9A
SCHEMBL805948 0.85 SCN9A (0.81) SCN9A
SCHEMBL10284274 0.85 SCN9A (0.77) 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