SCHEMBL8559327

SCHEMBL8559327

O=C(Nc1ccccc1)NC1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2C(CCN2CCCC2)[NH+]1[O-]

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.59

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
SCHEMBL7738118 0.93 CCKBR (0.56) CCKBR
SCHEMBL8658512 0.88 CCKBR (0.49) CCKBR
SCHEMBL1387951 0.87 CCKBR (0.62) CCKBR
SCHEMBL7926069 0.73 CCKBR (0.79) CCKBR
SCHEMBL1388061 0.72 CCKBR (0.88) CCKBR
SCHEMBL8867367 0.72 CCKBR (0.88) CCKBR
SCHEMBL8559320 0.72 CCKBR (0.49) CCKBR
SCHEMBL7375453 0.72 CCKBR (1.00) CCKBR
SCHEMBL8561705 0.71 CCKBR (0.47) CCKBR
SCHEMBL1388262 0.71 CCKBR (0.85) 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-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP claimed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US claimed
EP-0710230-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP claimed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO claimed
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed
EP-0710230-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP disclosed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed