SCHEMBL7308641

SCHEMBL7308641

COc1cc(OC)c(C2=NC(NC(=O)Nc3cccc(C)c3)C(=O)N(C)c3ccccc32)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.72
KCNH2 Q12809 1/20 0.72

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
SCHEMBL7312542 0.95 CCKBR (0.74) CCKBRKCNH2
SCHEMBL7312866 0.86 CCKBR (0.67) CCKBRKCNH2
L-365260 SCHEMBL31616010 0.84 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL29694194 0.84 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL5931098 0.84 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL9843248 0.84 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL29403509 0.84 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL31616154 0.84 CCKBR (1.00) CCKBRKCNH2
L-365260 SCHEMBL1650330 0.84 CCKBR (1.00) CCKBRKCNH2
SCHEMBL9865274 0.83 CCKBR (0.88) CCKBRKCNH2

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