SCHEMBL8639243

SCHEMBL8639243

CC(C)C(C)CN1C(=O)C(N)C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.59
CCKAR P32238 8/20 0.37
SLC6A2 P23975 2/20 0.36
XIAP P98170 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL8547144 0.82 CCKBR (0.60) CCKBR
SCHEMBL7041976 0.80 CCKBR (0.50) CCKBRCCKARSLC6A2MEN1KMT2A
SCHEMBL4424441 0.80 GAA (0.46) SLC6A2MEN1KMT2A
SCHEMBL8897693 0.77 CCKBR (0.60) CCKBRCCKARSLC6A2MEN1KMT2A
SCHEMBL4413460 0.77 ALDH1A1 (0.51) CCKBR
SCHEMBL8543405 0.76 CCKBR (0.60) CCKBRCCKARSLC6A2
SCHEMBL8636840 0.76 CCKBR (0.59) CCKBRCCKARSLC6A2KMT2A
SCHEMBL7041975 0.76 CCKBR (0.42) CCKBRSLC6A2MEN1KMT2A
SCHEMBL8898463 0.76 CCKBR (0.50) CCKBRMEN1KMT2A
SCHEMBL8638401 0.76 CCKBR (0.59) CCKBRCCKARMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP 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-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed