SCHEMBL8553031

SCHEMBL8553031

CC1=NC(NC(=O)Nc2cccc(C#N)c2)C(=O)N(CC(=O)C(C)(C)C)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.65
CCKBR P32239 2/20 0.60

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
SCHEMBL1574299 0.90 CCKAR (0.79) CCKARCCKBR
SCHEMBL8553447 0.90 CCKAR (0.60) CCKARCCKBR
SCHEMBL1574298 0.90 CCKAR (0.79) CCKARCCKBR
SCHEMBL8597611 0.85 CCKBR (0.57) CCKARCCKBR
SCHEMBL8646939 0.84 CCKAR (0.55) CCKARCCKBR
SCHEMBL1574046 0.79 CCKAR (1.00) CCKARCCKBR
SCHEMBL1574047 0.79 CCKAR (1.00) CCKARCCKBR
SCHEMBL9230548 0.79 CYP3A4 (0.81) CCKARCCKBR
SCHEMBL7545672 0.78 CCKAR (0.70) CCKARCCKBR
SCHEMBL7545675 0.78 CCKAR (0.70) CCKARCCKBR

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