SCHEMBL27348461

SCHEMBL27348461

COc1cc(CN)cc(OC)c1C1=NC(n2c(C(N)=O)cc3ccccc32)C(=O)N(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.42
CCKAR P32238 4/20 0.42
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 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
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL7307913 0.92 CCKBR (0.43) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL27365740 0.72 CCKBR (0.69) CCKBRCCKAR
SCHEMBL7306632 0.68 CCKBR (0.60) CCKBRCCKARGABRPGABRDGABRA1
Oxalic Acid SCHEMBL8631269 0.67 GABRP (0.58) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7304003 0.67 GABRP (0.60) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7306102 0.67 GABRP (0.60) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8627846 0.67 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8630089 0.67 CCKBR (0.56) CCKBRCCKAR
SCHEMBL7312856 0.63 CCKBR (0.42) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7312531 0.63 CCKBR (0.40) CCKBRCCKARGABRPGABRDGABRA1

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
CN-1053438-C Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI SA (FR) 2000-06-14 CN disclosed
CN-1126207-A Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI SA (FR) 1996-07-10 CN disclosed