SCHEMBL8553890

SCHEMBL8553890

COc1cccc(NC(=O)NC2N=C(C)c3ccccc3N(CC(=O)N(C)c3ccccc3)C2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.67
CCKAR P32238 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
SCHEMBL8553488 0.89 CCKBR (0.65) CCKBRCCKAR
SCHEMBL8597611 0.87 CCKBR (0.57) CCKBRCCKAR
SCHEMBL1388598 0.85 CCKBR (0.59) CCKBRCCKAR
Hydrochloric Acid SCHEMBL9007292 0.84 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8550878 0.83 CCKBR (0.45) CCKBRCCKAR
SCHEMBL9842427 0.80 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9090501 0.77 CYP3A4 (0.82) CCKBRCCKAR
SCHEMBL8554851 0.77 CCKBR (0.54) CCKBRCCKAR
SCHEMBL1574725 0.77 CCKAR (0.81) CCKBRCCKAR
SCHEMBL1574723 0.77 CCKAR (0.81) 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-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed