SCHEMBL21236849

SCHEMBL21236849

O=Cc1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCC(=O)O)c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.61

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
SCHEMBL21236882 0.90 SCN9A (0.74) SCN9A
SCHEMBL787072 0.84 SCN9A (0.79) SCN9A
SCHEMBL21236986 0.78 SCN9A (0.75) SCN9A
SCHEMBL21236989 0.76 SCN9A (0.71) SCN9A
SCHEMBL10284480 0.76 SCN9A (0.78) SCN9A
SCHEMBL29421473 0.76 SCN9A (1.00) SCN9A
SCHEMBL787780 0.76 SCN9A (1.00) SCN9A
SCHEMBL805902 0.75 SCN9A (0.80) SCN9A
SCHEMBL787444 0.74 SCN9A (0.89) SCN9A
SCHEMBL787530 0.74 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
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed