SCHEMBL21236841

SCHEMBL21236841

C/N=C\c1ccc(Oc2ccc(-c3cccc(CNCCN4CCNC4=O)n3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.74

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
SCHEMBL21236918 0.88 SCN9A (0.75) SCN9A
SCHEMBL21236843 0.87 SCN9A (0.73) SCN9A
SCHEMBL787726 0.85 SCN9A (1.00) SCN9A
SCHEMBL21237097 0.81 SCN9A (0.78) SCN9A
SCHEMBL787147 0.81 SCN9A (1.00) SCN9A
SCHEMBL787314 0.79 SCN9A (1.00) SCN9A
SCHEMBL21237092 0.79 SCN9A (0.77) SCN9A
SCHEMBL787235 0.79 SCN9A (1.00) SCN9A
SCHEMBL29421453 0.79 SCN9A (1.00) SCN9A
SCHEMBL787276 0.78 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