SCHEMBL8405020

SCHEMBL8405020

COc1ccc(CN2C(=O)C(N)C(=O)N(CC(=O)N(c3ccc(OC)cc3)C(C)C)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 14/20 0.56
CCKBR P32239 13/20 0.56
MC4R P32245 2/20 0.49
MC1R Q01726 2/20 0.49

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
SCHEMBL7751752 0.87 CCKAR (0.70) CCKARCCKBR
SCHEMBL8402034 0.84 CCKAR (0.57) CCKARCCKBR
SCHEMBL8404998 0.83 CCKAR (0.55) CCKARCCKBR
SCHEMBL8401890 0.83 CCKAR (0.53) CCKARCCKBRMC4RMC1R
SCHEMBL8402276 0.81 CCKAR (0.59) CCKARCCKBRMC4RMC1R
SCHEMBL8406827 0.80 CCKAR (0.55) CCKARCCKBRMC4RMC1R
SCHEMBL8095874 0.77 CCKAR (0.51) CCKARCCKBR
SCHEMBL7752163 0.77 CCKAR (0.68) CCKARCCKBR
SCHEMBL8560971 0.77 CCKBR (0.50) CCKBR
SCHEMBL7550570 0.76 CCKAR (0.67) 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 3 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
WO-1995028419-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed