SCHEMBL805894

SCHEMBL805894

CC(C)(C)OC(=O)N1CCN(c2cc(CCO)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.55
S1PR2 O95136 1/20 0.45
ENPP2 Q13822 1/20 0.45
GRIA1 P42261 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL805962 0.87 SCN9A (0.58) SCN9AS1PR2ENPP2
SCHEMBL805870 0.86 SCN9A (0.65) SCN9AS1PR2ENPP2GRIA1
SCHEMBL15383835 0.85 SCN9A (0.73) SCN9A
SCHEMBL805965 0.84 SCN9A (0.70) SCN9AS1PR2
SCHEMBL805889 0.84 SCN9A (0.77) SCN9A
SCHEMBL805897 0.84 SCN9A (0.55) SCN9AS1PR2ENPP2GRIA1
SCHEMBL18031540 0.81 SCN9A (0.56) SCN9AENPP2GRIA1LMNAMAPT
SCHEMBL17049605 0.75 SCN9A (0.54) SCN9AS1PR2
SCHEMBL17049606 0.74 SCN9A (0.52) SCN9AS1PR2
SCHEMBL941160 0.74 ALDH1A1 (0.62) LMNAMAPTHTTSMN1; SMN2

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