SCHEMBL8812239

SCHEMBL8812239

COc1ccc(N(C(=O)CN2C(=O)C(C)(CC(=O)O)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 17/20 0.71
CCKBR P32239 13/20 0.71

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
SCHEMBL8806774 0.92 CCKAR (0.81) CCKARCCKBR
SCHEMBL8812430 0.91 CCKAR (0.85) CCKARCCKBR
SCHEMBL8804651 0.89 CCKAR (0.68) CCKARCCKBR
SCHEMBL8812862 0.85 CCKAR (0.73) CCKARCCKBR
SCHEMBL8812854 0.85 CCKAR (0.77) CCKARCCKBR
SCHEMBL8817635 0.84 CCKAR (0.78) CCKARCCKBR
SCHEMBL8814552 0.84 CCKAR (0.78) CCKARCCKBR
SCHEMBL8814718 0.84 CCKAR (0.73) CCKARCCKBR
SCHEMBL8804848 0.83 CCKAR (0.77) CCKARCCKBR
SCHEMBL8804560 0.83 CCKAR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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