SCHEMBL21236867

SCHEMBL21236867

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.74
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL29421488 0.85 SCN9A (1.00) SCN9A
SCHEMBL787530 0.85 SCN9A (1.00) SCN9A
SCHEMBL787067 0.84 SCN9A (1.00) SCN9A
SCHEMBL21236984 0.80 SCN9A (0.78) SCN9A
SCHEMBL21236929 0.79 SCN9A (0.71) SCN9A
SCHEMBL787329 0.73 SCN9A (1.00) SCN9A
SCHEMBL787438 0.72 SCN9A (1.00) SCN9A
SCHEMBL10284480 0.71 SCN9A (0.78) SCN9A
SCHEMBL805902 0.71 SCN9A (0.80) SCN9A
SCHEMBL21236849 0.70 SCN9A (0.61) 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