SCHEMBL8552793

SCHEMBL8552793

CN(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)N=C(CN2CCOCC2)c2ccccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.48
BDKRB1 P46663 2/20 0.47
CCKAR P32238 4/20 0.45

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
SCHEMBL8552604 0.93 CCKBR (0.48) CCKBRCCKAR
SCHEMBL1388598 0.92 CCKBR (0.59) CCKBRCCKAR
SCHEMBL8555248 0.91 OXTR (0.41) CCKBRBDKRB1CCKAR
SCHEMBL1388679 0.91 CCKBR (0.53) CCKBRCCKAR
Hydrochloric Acid SCHEMBL9007292 0.91 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8554471 0.91 CCKBR (0.49) CCKBRCCKAR
SCHEMBL9007285 0.90 CCKBR (0.45) CCKBRCCKAR
SCHEMBL9007270 0.86 CCKBR (0.39) CCKBRCCKAR
SCHEMBL9007294 0.86 CCKBR (0.46) CCKBRCCKAR
SCHEMBL1388570 0.84 CCKBR (0.49) CCKBRBDKRB1

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-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP claimed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US claimed
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed