SCHEMBL8563195

SCHEMBL8563195

COc1ccc(CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(CCC(C)C)c3ccccc32)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.84
CCKAR P32238 1/20 0.57

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
SCHEMBL8648018 0.85 CCKBR (0.70) CCKBRCCKAR
SCHEMBL8563090 0.82 CCKBR (0.65) CCKBR
SCHEMBL8635376 0.81 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8564471 0.81 CCKBR (0.63) CCKBR
SCHEMBL8651647 0.81 CCKBR (0.85) CCKBR
SCHEMBL8638093 0.79 CCKBR (1.00) CCKBR
SCHEMBL8560971 0.79 CCKBR (0.50) CCKBR
SCHEMBL8559175 0.78 CCKBR (0.80) CCKBR
SCHEMBL8562935 0.77 CCKBR (0.79) CCKBR
SCHEMBL8638925 0.76 CCKBR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed