SCHEMBL8774324

SCHEMBL8774324

CC(=O)c1cccnc1CN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.68
CCKAR P32238 3/20 0.56
BDKRB1 P46663 1/20 0.53

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
SCHEMBL8532918 1.00 CCKBR (0.68) CCKBRCCKARBDKRB1
SCHEMBL8538390 0.93 CCKBR (0.70) CCKBRCCKAR
SCHEMBL8538053 0.84 CCKBR (0.68) CCKBRCCKAR
SCHEMBL9054859 0.84 CCKBR (0.68) CCKBRCCKAR
SCHEMBL8537864 0.84 CCKBR (0.66) CCKBRCCKAR
SCHEMBL8608935 0.81 CCKBR (0.74) CCKBRCCKAR
SCHEMBL9054443 0.81 CCKBR (0.74) CCKBRCCKAR
SCHEMBL9054445 0.81 CCKBR (0.74) CCKBRCCKAR
SCHEMBL9055941 0.81 CCKBR (0.74) CCKBRCCKAR
SCHEMBL7543586 0.81 CCKBR (0.62) 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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed