SCHEMBL8804640

SCHEMBL8804640

COc1ccc(N(C(=O)CN2C(=O)C(CC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 17/20 0.85
CCKBR P32239 16/20 0.85

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
SCHEMBL8806380 0.87 CCKAR (0.71) CCKARCCKBR
SCHEMBL8814700 0.83 CCKAR (0.67) CCKARCCKBR
SCHEMBL7751752 0.83 CCKAR (0.70) CCKARCCKBR
SCHEMBL8804820 0.83 CCKAR (0.66) CCKARCCKBR
SCHEMBL8813282 0.82 CCKAR (0.70) CCKARCCKBR
SCHEMBL8812430 0.82 CCKAR (0.85) CCKARCCKBR
SCHEMBL8814665 0.81 CCKAR (0.78) CCKARCCKBR
SCHEMBL8812141 0.81 CCKAR (0.68) CCKARCCKBR
SCHEMBL7752163 0.81 CCKAR (0.68) CCKARCCKBR
SCHEMBL8814489 0.80 CCKAR (0.74) 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 claimed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO claimed