SCHEMBL8640894

SCHEMBL8640894

CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1

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
SCHEMBL8641692 0.90 CCKBR (1.00) CCKBR
SCHEMBL8637563 0.88 CCKBR (1.00) CCKBR
SCHEMBL8635573 0.88 CCKBR (1.00) CCKBR
SCHEMBL8897421 0.86 CCKBR (1.00) CCKBR
SCHEMBL8617171 0.84 CCKBR (0.72) CCKBR
SCHEMBL8639174 0.79 CCKBR (1.00) CCKBR
SCHEMBL8634876 0.78 CCKBR (1.00) CCKBR
Dimethylamine SCHEMBL8641696 0.76 CCKBR (0.96) CCKBR
SCHEMBL8636794 0.76 CCKBR (1.00) CCKBR
SCHEMBL8639696 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 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