SCHEMBL806018

SCHEMBL806018

N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(CNCCNCCN)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.68
TRPV3 Q8NET8 1/20 0.42

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
SCHEMBL805973 0.85 SCN9A (0.61) SCN9ATRPV3
SCHEMBL805954 0.84 SCN9A (0.69) SCN9A
SCHEMBL10284490 0.84 SCN9A (0.67) SCN9A
SCHEMBL787314 0.81 SCN9A (1.00) SCN9A
SCHEMBL805907 0.79 SCN9A (0.65) SCN9ATRPV3
SCHEMBL805974 0.79 SCN9A (0.62) SCN9A
SCHEMBL806015 0.77 SCN9A (0.64) SCN9A
SCHEMBL10284267 0.76 SCN9A (0.67) SCN9A
SCHEMBL10284138 0.76 SCN9A (0.59) SCN9A
SCHEMBL16129820 0.75 SCN9A (0.73) 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
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed