SCHEMBL8406809

SCHEMBL8406809

COc1ccc(N(C(=O)CN2C(=O)C(C(N)=O)C(=O)N(c3ccccn3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 15/20 0.54
CCKBR P32239 13/20 0.54

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
SCHEMBL8405638 0.92 CCKAR (0.55) CCKARCCKBR
SCHEMBL8404998 0.90 CCKAR (0.55) CCKARCCKBR
SCHEMBL7752163 0.87 CCKAR (0.68) CCKARCCKBR
SCHEMBL8519223 0.85 CCKAR (0.58) CCKARCCKBR
SCHEMBL8803122 0.83 CCKAR (0.51) CCKARCCKBR
SCHEMBL8405631 0.82 CCKAR (0.80) CCKARCCKBR
SCHEMBL8402034 0.81 CCKAR (0.57) CCKARCCKBR
SCHEMBL8797681 0.80 CCKAR (0.65) CCKARCCKBR
SCHEMBL8405715 0.78 CCKAR (0.51) CCKARCCKBR
SCHEMBL7752992 0.78 CCKAR (0.65) CCKARCCKBR

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
EP-0756602-B1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC (US) 1999-06-30 EP disclosed