SCHEMBL7597322

SCHEMBL7597322

CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.58
CCKAR P32238 4/20 0.58

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
SCHEMBL9392486 0.92 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8401920 0.86 CCKBR (0.47) CCKBRCCKAR
SCHEMBL8095731 0.81 CCKBR (0.46) CCKBRCCKAR
SCHEMBL8081919 0.80 NPY1R (0.51) CCKBR
SCHEMBL8093420 0.80 CCKBR (0.45) CCKBRCCKAR
SCHEMBL8089866 0.80 CCKBR (0.41) CCKBRCCKAR
SCHEMBL8401847 0.79 CCKBR (0.44) CCKBRCCKAR
SCHEMBL7753002 0.76 CCKBR (0.37) CCKBRCCKAR
SCHEMBL7752996 0.74 CCKBR (0.47) CCKBRCCKAR
SCHEMBL23777550 0.73 CCKAR (1.00) CCKBRCCKAR

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-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP claimed
EP-1212305-A2 1,5-BENZODIAZEPINE DERIVATIVES AS CCK-A RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2002-06-12 EP disclosed
WO-2000068209-A2 1,5-BENZODIAZEPINE DERIVATIVES AS CCK-A RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-11-16 WO disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed