SCHEMBL4463772

SCHEMBL4463772

N#Cc1ccccc1-c1cc(-c2ccccn2)cc(-c2ccc[nH]c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.50
GRIA3 P42263 1/20 0.50
PDE4D Q08499 1/20 0.50
MCL1 Q07820 2/20 0.47
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GRM5 P41594 1/20 0.38
CHEK1 O14757 2/20 0.37
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 2/20 0.36
TRPA1 O75762 1/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5046202 0.81 GRIA1 (0.48) GRIA1GRIA3PDE4DMCL1GABRG2
SCHEMBL18411434 0.80 GRIA1 (0.53) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL3475505 0.80 GRIA1 (0.52) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL687843 0.80 GRIA1 (0.58) GRIA1GRIA3PDE4DMCL1CHEK1
SCHEMBL2925898 0.79 GRIA1 (0.50) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL15758398 0.79 GRIA1 (0.57) GRIA1GRIA3PDE4DMCL1CHEK1
SCHEMBL18411316 0.79 GRIA1 (0.52) GRIA1GRIA3PDE4DGABRG2GABRB3
Water SCHEMBL4777578 0.76 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL4372512 0.76 CHEK2 (0.42) GRM5PRMT5WDR77
SCHEMBL2918046 0.76 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRG2GABRB3

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