SCHEMBL21236834

SCHEMBL21236834

OCCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.62
TRPV3 Q8NET8 9/20 0.52

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
SCHEMBL805909 0.89 SCN9A (0.65) SCN9ATRPV3
SCHEMBL21236979 0.87 SCN9A (0.67) SCN9A
SCHEMBL805976 0.85 SCN9A (0.56) SCN9A
SCHEMBL787618 0.84 SCN9A (0.58) SCN9ATRPV3
SCHEMBL15272333 0.83 SCN9A (0.67) SCN9ATRPV3
SCHEMBL4592059 0.80 TRPV3 (0.61) SCN9ATRPV3
SCHEMBL21236904 0.80 SCN9A (0.69) SCN9A
SCHEMBL21236833 0.79 SCN9A (0.62) SCN9A
SCHEMBL22102435 0.79 SCN9A (0.72) SCN9A
SCHEMBL22102814 0.79 SCN9A (0.50) 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