SCHEMBL8540648

SCHEMBL8540648

NC1C(=O)N(CCC2CCCC2)c2ccccc2N(c2ccccc2F)C1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.63
CCKAR P32238 2/20 0.41
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL8616780 0.81 CCKBR (0.61) CCKBRMGLL
SCHEMBL8620796 0.78 CCKBR (0.61) CCKBR
SCHEMBL8618484 0.76 CCKBR (0.73) CCKBRCCKAR
SCHEMBL8946837 0.74 CCKBR (0.62) CCKBRCCKAR
SCHEMBL8634715 0.73 CCKBR (0.43) CCKBRCCKARMGLL
SCHEMBL8639174 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8870374 0.71 EPHX2 (0.38) CCKBRMGLL
SCHEMBL8946822 0.69 CCKBR (0.51) CCKBRCCKAR
Hydrochloric Acid SCHEMBL7500454 0.68 MGLL (0.49) MGLL
SCHEMBL8559435 0.68 OPRM1 (0.43)

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-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0698014-B1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-07-22 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5641775-A 3-phenylureido-1,5-benzodiazepine-diones useful as gastrin or antagonists GLAXO SPA (IT) 1997-06-24 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
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed