SCHEMBL4500797

SCHEMBL4500797

O=C(CN1N=C(c2ccccc2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.82
CCKAR P32238 14/20 0.82

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
SCHEMBL3912021 0.90 CCKBR (1.00) CCKBRCCKAR
SCHEMBL4505102 0.87 CCKBR (0.63) CCKBRCCKAR
SCHEMBL13710325 0.85 CCKBR (0.72) CCKBRCCKAR
SCHEMBL4558000 0.78 CCKBR (0.66) CCKBRCCKAR
SCHEMBL4505312 0.77 CCKBR (0.52) CCKBRCCKAR
SCHEMBL3911925 0.77 CCKBR (0.78) CCKBRCCKAR
SCHEMBL3914711 0.77 CCKBR (0.78) CCKBRCCKAR
SCHEMBL13868303 0.76 CCKBR (0.76) CCKBRCCKAR
SCHEMBL4494879 0.76 CCKBR (0.50) CCKBRCCKAR
SCHEMBL3915811 0.75 CCKBR (0.82) CCKBRCCKAR

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-1948624-B1 PROCESS FOR THE PREPARATION OF BENZO[E][1,2,4]TRIAZEPIN-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-7582753-B2 Process for the preparation of benzotriazepine derivatives JANSSENPHARMACEUTICA, NV (BE) 2009-09-01 US disclosed