SCHEMBL7306632

SCHEMBL7306632

COc1cc(C)cc(OC)c1C1=NC(NC(=O)c2cc3ccccc3n2CC(=O)O)C(=O)N(C)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.60
CCKAR P32238 9/20 0.60
ADRB2 P07550 1/20 0.47
TSPO P30536 1/20 0.47
GLP1R P43220 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL8627846 0.86 CCKBR (0.58) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL8630089 0.85 CCKBR (0.56) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9423149 0.80 CCKBR (0.75) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL7302916 0.79 CCKBR (0.72) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL7307910 0.78 CCKBR (0.49) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7307913 0.76 CCKBR (0.43) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7312521 0.75 CCKBR (0.68) CCKBR
SCHEMBL7311045 0.75 CCKBR (0.73) CCKBRCCKAR
SCHEMBL7312542 0.74 CCKBR (0.74) CCKBR
SCHEMBL7304411 0.74 CCKBR (0.70) CCKBR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798353-A Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-08-25 US disclosed
US-5719143-A Polysubstituted 3-acylamino-5-phenyl-1, 4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-02-17 US disclosed
EP-0667344-A1 3-acylamino-5-(polysubstituted phenyl)-1,4-benzodiazepin-2-ones useful as CCK-receptor agonists SANOFI (FR) 1995-08-16 EP disclosed