SCHEMBL4466629

SCHEMBL4466629

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 3/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TNKS O95271 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL1884641 0.79 GRIA1 (0.67) GRIA1GRIA3PDE4DGRM5
SCHEMBL4466632 0.78 MCHR1 (0.43) GRIA1GRIA3PDE4DCYP1A2CYP2D6
SCHEMBL4466635 0.76 ABL1 (0.39) PDE10AABL1BCRGRIA1GRIA3
SCHEMBL687912 0.75 GRIA1 (0.51) GRIA1GRIA3PDE4DCYP1A2CYP2D6
SCHEMBL2782807 0.75 GRIA1 (0.42) GRIA1GRIA3PDE4DGRM5HTR1A
SCHEMBL4072861 0.71 MAPK10 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19GRM5
SCHEMBL1883876 0.68 GRIA1 (0.65) GRIA1GRIA3PDE4DGRM5
SCHEMBL14889241 0.68 GRIA1 (0.62) GRIA1GRIA3PDE4DGRM5HTR1A
SCHEMBL1885107 0.67 SMN1; SMN2 (0.45) ABL1GRIA1GRIA3PDE4DCYP1A2
SCHEMBL1886861 0.66 ABL1 (0.46) ABL1BCRGRIA1GRIA3PDE4D

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