SCHEMBL7312866

SCHEMBL7312866

COc1cc(OC)c(C2=NC(NC(=O)Nc3ccccc3C)C(=O)N(C)c3ccccc32)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.67
KCNH2 Q12809 1/20 0.52

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
SCHEMBL7312521 0.94 CCKBR (0.68) CCKBRKCNH2
SCHEMBL7308641 0.86 CCKBR (0.72) CCKBRKCNH2
SCHEMBL7304411 0.85 CCKBR (0.70) CCKBRKCNH2
SCHEMBL14180352 0.83 CCKBR (0.82) CCKBR
SCHEMBL14180357 0.82 CCKBR (0.80) CCKBRKCNH2
SCHEMBL14180371 0.81 CCKBR (0.77) CCKBRKCNH2
SCHEMBL7312542 0.81 CCKBR (0.74) CCKBRKCNH2
SCHEMBL9865849 0.81 CCKBR (1.00) CCKBR
SCHEMBL14180372 0.80 CCKBR (0.83) CCKBR
SCHEMBL7310917 0.77 CCKBR (0.72) 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