SCHEMBL8633837

SCHEMBL8633837

O=C(Nc1cccc([N+](=O)[O-])c1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 1.00

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
SCHEMBL7375453 0.88 CCKBR (1.00) CCKBR
SCHEMBL8635663 0.88 CCKBR (1.00) CCKBR
SCHEMBL8659328 0.87 CCKBR (1.00) CCKBR
SCHEMBL8636478 0.87 CCKBR (1.00) CCKBR
SCHEMBL8635695 0.87 CCKBR (1.00) CCKBR
SCHEMBL8656811 0.87 CCKBR (1.00) CCKBR
SCHEMBL8656788 0.85 CCKBR (0.82) CCKBR
SCHEMBL8638672 0.85 CCKBR (0.81) CCKBR
SCHEMBL8635744 0.85 CCKBR (1.00) CCKBR
SCHEMBL8637453 0.82 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710229-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-10-21 EP disclosed
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
US-5733867-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST GLAXO WELLCOME SPA (IT) 1998-03-31 US disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
EP-0710229-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP disclosed
WO-1995003284-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed