SCHEMBL9007259

SCHEMBL9007259

CN1CCN(CC2=NC(NC(=O)Nc3cccc(C#N)c3)C(=O)N(CC(=O)N(C)c3ccccc3)c3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.52
CCKAR P32238 1/20 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
SCHEMBL8556447 0.94 CCKBR (0.51) CCKBRCCKAR
SCHEMBL8557051 0.94 CCKBR (0.51) CCKBRCCKAR
SCHEMBL8594848 0.93 CCKBR (0.50) CCKBRCCKAR
SCHEMBL8554471 0.93 CCKBR (0.49) CCKBRCCKAR
SCHEMBL8554851 0.88 CCKBR (0.54) CCKBRCCKAR
SCHEMBL9007294 0.88 CCKBR (0.46) CCKBRCCKAR
SCHEMBL8597611 0.86 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8553411 0.85 CCKBR (0.52) CCKBRCCKAR
SCHEMBL8554771 0.85 CCKBR (0.49) CCKBRCCKAR
SCHEMBL8552793 0.83 CCKBR (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed