SCHEMBL8563090

SCHEMBL8563090

COc1ccc(NC(=O)NC2C(=O)N(CCC(C)C)c3ccccc3N(CCN3CCOCC3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.65

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
SCHEMBL8562935 0.91 CCKBR (0.79) CCKBR
SCHEMBL8561454 0.90 CCKBR (0.68) CCKBR
SCHEMBL8648241 0.87 CCKBR (0.64) CCKBR
SCHEMBL8648018 0.84 CCKBR (0.70) CCKBR
SCHEMBL8559175 0.83 CCKBR (0.80) CCKBR
SCHEMBL8563195 0.82 CCKBR (0.84) CCKBR
SCHEMBL8564471 0.80 CCKBR (0.63) CCKBR
SCHEMBL8635376 0.75 CCKBR (1.00) CCKBR
SCHEMBL8651647 0.74 CCKBR (0.85) CCKBR
SCHEMBL8563447 0.74 KDM1A (0.45) 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