SCHEMBL4466635

SCHEMBL4466635

CC(Oc1cccc(-n2cc(-c3ccccn3)ccc2=O)c1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
PDE4A P27815 2/20 0.34
KCNH2 Q12809 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1891167 0.81 GRIA1 (0.51) ABL1BCRGRIA1GRIA3PDE4D
SCHEMBL4466632 0.81 MCHR1 (0.43) GRIA1GRIA3PDE4DCYP1A2CYP2D6
SCHEMBL1881495 0.81 GRIA1 (0.48) ABL1BCRGRIA1GRIA3PDE4D
SCHEMBL1884645 0.79 GRIA1 (0.68) ABL1BCRGRIA1GRIA3PDE4D
SCHEMBL1884749 0.78 GRIA1 (0.53) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL687912 0.76 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5CYP1A2
SCHEMBL4466629 0.76 PDE10A (0.41) ABL1BCRGRIA1GRIA3PDE4D
SCHEMBL2782807 0.76 GRIA1 (0.42) GRIA1GRIA3PDE4DGRM5
SCHEMBL1882344 0.71 GRIA1 (0.49) GRIA1GRIA3PDE4DGRM5GABRG2
SCHEMBL1883880 0.69 GRIA1 (0.65) GRIA1GRIA3PDE4DGRM5GABRG2

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-2009054543-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed