SCHEMBL8230267

SCHEMBL8230267

Cc1cccc2c(OC3CCN(Cc4ccccc4)CC3)cc(C#N)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
SCN1A P35498 3/20 0.46
SCN8A Q9UQD0 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
CCR2 P41597 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PARP14 Q460N5 1/20 0.44
GAA P10253 1/20 0.43
MCHR1 Q99705 2/20 0.43
NSD2 O96028 2/20 0.43
EHMT2 Q96KQ7 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL5527469 0.88 HRH3 (0.52) HRH3SCN1ASCN8ASMN1; SMN2ROCK1
SCHEMBL5530200 0.87 SMN1; SMN2 (0.50) SCN1ASCN8ASMN1; SMN2ROCK1ROCK2
SCHEMBL5524457 0.86 HRH3 (0.58) HRH3SMN1; SMN2ROCK1ROCK2CCR2
SCHEMBL5523116 0.78 SMN1; SMN2 (0.49) SCN1ASCN8ASMN1; SMN2ROCK1ROCK2
SCHEMBL4238856 0.77 HRH3 (0.67) HRH3SCN1ASCN8ASMN1; SMN2MAOA
SCHEMBL8094318 0.77 SMN1; SMN2 (0.51) SCN1ASCN8ASMN1; SMN2MCHR1EHMT2
SCHEMBL5526683 0.77 SCN1A (0.50) SCN1ASCN8ASMN1; SMN2ROCK1ROCK2
SCHEMBL5531752 0.77 SMN1; SMN2 (0.48) SCN1ASCN8ASMN1; SMN2ROCK1ROCK2
SCHEMBL5531637 0.76 HRH3 (0.51) HRH3SMN1; SMN2ROCK2
SCHEMBL5532963 0.76 NCF1 (0.58) HRH3SMN1; SMN2ROCK1ROCK2CCR2

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-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed