SCHEMBL8564471

SCHEMBL8564471

COc1ccc(NC(=O)NC2C(=O)Nc3ccccc3N(CCC(C)C)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.63

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
SCHEMBL8559660 0.91 CCKBR (0.77) CCKBR
SCHEMBL8648018 0.83 CCKBR (0.70) CCKBR
SCHEMBL8563195 0.81 CCKBR (0.84) CCKBR
SCHEMBL8563090 0.80 CCKBR (0.65) CCKBR
SCHEMBL8564378 0.79 CCKBR (0.41) CCKBR
SCHEMBL8563276 0.77 CCKBR (0.50) CCKBR
SCHEMBL8635376 0.73 CCKBR (1.00) CCKBR
SCHEMBL8651647 0.72 CCKBR (0.85) CCKBR
SCHEMBL7751724 0.71 CCKBR (0.60) CCKBR
SCHEMBL8638093 0.71 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