SCHEMBL8635124

SCHEMBL8635124

O=C(NC1C(=O)N(CCC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.73

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
SCHEMBL9014086 0.91 CCKBR (0.75) CCKBR
SCHEMBL8617223 0.90 CCKBR (0.74) CCKBR
SCHEMBL8621832 0.85 CCKBR (0.72) CCKBR
SCHEMBL8615099 0.84 CCKBR (0.56) CCKBR
Dimethylamine SCHEMBL8638834 0.82 CCKBR (0.94) CCKBR
SCHEMBL8618848 0.82 CCKBR (0.79) CCKBR
SCHEMBL8617477 0.82 CCKBR (0.65) CCKBR
SCHEMBL8618163 0.82 CCKBR (0.70) CCKBR
SCHEMBL9014072 0.82 CCKBR (0.65) CCKBR
SCHEMBL8622444 0.82 CCKBR (0.73) 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 5 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-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 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-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed