SCHEMBL3819014

SCHEMBL3819014

CCN(c1ccc(CN(CC(N)=O)c2ccc(OC)cc2)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
CNR1 P21554 5/20 0.46
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
F2 P00734 1/20 0.38
HTR2A P28223 1/20 0.38
OPRM1 P35372 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3819010 0.81 RNF4 (0.47) CNR2CNR1DRD2DRD3F2
SCHEMBL3819226 0.80 CNR1 (0.40) CNR2CNR1DRD2DRD3GAA
SCHEMBL27594337 0.78 CNR1 (0.41) CNR2CNR1DRD2DRD3GAA
SCHEMBL3819221 0.78 CHRM2 (0.44) CNR2CNR1DRD2DRD3F2
SCHEMBL3821795 0.75 GRIN2A (0.41) CNR2CNR1F2OPRM1
SCHEMBL3824522 0.74 CHRM1 (0.47) CNR2CNR1DRD2DRD3LMNA
SCHEMBL7835750 0.73 ALDH1A1 (0.45) ALDH1A1OPRM1SMN1; SMN2
SCHEMBL3053871 0.72 CNR2 (0.41) CNR2CNR1DRD2DRD3
SCHEMBL20870842 0.71 CNR2 (0.57) CNR2CNR1GAALMNAALDH1A1
SCHEMBL4735333 0.70 ALDH1A1 (0.48) DRD2DRD3LMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed