SCHEMBL787199

SCHEMBL787199

OCC(O)c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 1.00

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
SCHEMBL29421405 1.00 SCN9A (1.00) SCN9A
SCHEMBL805899 1.00 SCN9A (1.00) SCN9A
SCHEMBL21236980 0.82 SCN9A (0.70) SCN9A
SCHEMBL15383835 0.81 SCN9A (0.73) SCN9A
SCHEMBL29421406 0.81 SCN9A (1.00) SCN9A
SCHEMBL787432 0.81 SCN9A (1.00) SCN9A
SCHEMBL787433 0.81 SCN9A (1.00) SCN9A
SCHEMBL805869 0.79 SCN9A (0.68) SCN9A
SCHEMBL27905954 0.79 SCN9A (0.65) SCN9A
SCHEMBL10284693 0.78 SCN9A (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP claimed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO claimed