SCHEMBL6674300

SCHEMBL6674300

N#Cc1ccccc1-c1cc(C(=O)c2ccccn2)cc(-n2ccccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA3 P42263 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 1/20 0.39
GRM4 Q14833 5/20 0.38
MAOB P27338 1/20 0.36
CTSA P10619 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CDC7 O00311 1/20 0.34
F10 P00742 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
FFAR1 O14842 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
SCHEMBL2918046 0.81 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRA1GABRG2
Water SCHEMBL4777578 0.81 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL6689015 0.77 PRKDC (0.41) KMT2AKDM4EALDH1A1F10
SCHEMBL3667254 0.77 GRIA1 (0.41) GRIA1GRIA3PDE4DCTSAKDM4E
SCHEMBL3681524 0.73 CYP11B1 (0.45) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1881068 0.73 GRIA1 (0.64) GRIA1GRIA3PDE4DKMT2AGRM4
SCHEMBL3676538 0.72 PTPRC (0.39) GRIA1GRIA3PDE4DMAOBGABRA1
SCHEMBL3672704 0.71 GABRG2 (0.43) GRIA1GRIA3PDE4DF10GABRA1
SCHEMBL3667717 0.70 PGR (0.44) MAOBKDM4EALDH1A1
SCHEMBL2497621 0.70 GABRA1 (0.43) GRIA1GRIA3PDE4DGRM4GABRA1

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-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed