SCHEMBL8404990

SCHEMBL8404990

COc1ccc(N(C(=O)CN2C(=O)CC(=O)N(c3ccncc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 17/20 0.55
CCKBR P32239 14/20 0.55

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
SCHEMBL8803760 0.93 CCKAR (0.62) CCKARCCKBR
SCHEMBL8518850 0.90 CCKAR (0.53) CCKARCCKBR
SCHEMBL8803122 0.86 CCKAR (0.51) CCKARCCKBR
SCHEMBL8803663 0.86 CCKAR (0.51) CCKARCCKBR
SCHEMBL8803748 0.85 CCKAR (0.55) CCKARCCKBR
SCHEMBL8804860 0.85 CCKAR (0.50) CCKARCCKBR
SCHEMBL8807834 0.83 CCKAR (0.58) CCKARCCKBR
SCHEMBL8806922 0.83 CCKAR (0.52) CCKARCCKBR
SCHEMBL8805154 0.83 CCKAR (0.59) CCKARCCKBR
SCHEMBL8803627 0.82 CCKAR (0.51) 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 5 patents. 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
EP-0756602-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1997-02-05 EP disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995028419-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed