SCHEMBL8615202

SCHEMBL8615202

NC1C(=O)N(CC2C3CC4CC(C3)CC2C4)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.61
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCKAR P32238 1/20 0.35

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
SCHEMBL9014101 0.88 CCKBR (0.50) CCKBRMEN1KMT2A
SCHEMBL8615476 0.82 CCKBR (0.46) CCKBRMEN1KMT2ACCKAR
SCHEMBL9014011 0.81 CCKBR (0.43) CCKBR
SCHEMBL8622432 0.79 CCKBR (0.59) CCKBRMEN1KMT2A
SCHEMBL8621950 0.78 CCKBR (0.61) CCKBR
SCHEMBL7736932 0.77 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8622444 0.77 CCKBR (0.73) CCKBRCCKAR
SCHEMBL4424441 0.77 GAA (0.46) MEN1KMT2A
SCHEMBL8617777 0.76 KDM4E (0.46) CCKBRMEN1KMT2ACCKAR
SCHEMBL8638391 0.76 CCKBR (0.64) 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
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 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
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed