SCHEMBL805907

SCHEMBL805907

NCCNCCNCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.65
TRPV3 Q8NET8 1/20 0.45
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41

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 0.89 SCN9A (0.61) SCN9ATRPV3
SCHEMBL10284267 0.83 SCN9A (0.67) SCN9ALMNA
SCHEMBL787194 0.79 SCN9A (1.00) SCN9A
SCHEMBL10284138 0.79 SCN9A (0.59) SCN9A
SCHEMBL806018 0.79 SCN9A (0.68) SCN9ATRPV3
SCHEMBL21236979 0.79 SCN9A (0.67) SCN9AMAPK1LMNA
SCHEMBL805974 0.74 SCN9A (0.62) SCN9ALMNA
SCHEMBL805865 0.74 SCN9A (0.61) SCN9AMAPK1LMNA
SCHEMBL805954 0.73 SCN9A (0.69) SCN9A
SCHEMBL805885 0.72 SCN9A (0.64) SCN9AMAPK1LMNA

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