SCHEMBL21236860

SCHEMBL21236860

NC(=O)c1cc(CCCO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.70

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
SCHEMBL21236837 0.93 SCN9A (0.72) SCN9A
SCHEMBL21236873 0.87 SCN9A (0.69) SCN9A
SCHEMBL21236931 0.84 SCN9A (0.62) SCN9A
SCHEMBL787190 0.82 SCN9A (1.00) SCN9A
SCHEMBL787803 0.82 SCN9A (1.00) SCN9A
SCHEMBL787189 0.82 SCN9A (1.00) SCN9A
SCHEMBL21236840 0.82 SCN9A (0.77) SCN9A
SCHEMBL21236892 0.81 SCN9A (0.67) SCN9A
SCHEMBL21236981 0.81 SCN9A (0.67) SCN9A
SCHEMBL805979 0.79 SCN9A (0.65) 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