SCHEMBL8402276

SCHEMBL8402276

COc1ccc(N(C(=O)CN2C(=O)C(N)C(=O)N(c3cccnc3)c3ccccc32)C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 14/20 0.59
CCKBR P32239 12/20 0.59
MC4R P32245 1/20 0.52
MC1R Q01726 1/20 0.52

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
SCHEMBL8804393 0.91 CCKAR (0.60) CCKARCCKBRMC4RMC1R
SCHEMBL8404985 0.91 CCKAR (0.55) CCKARCCKBRMC4RMC1R
SCHEMBL7751752 0.90 CCKAR (0.70) CCKARCCKBR
SCHEMBL8519223 0.90 CCKAR (0.58) CCKARCCKBRMC4RMC1R
SCHEMBL8402034 0.86 CCKAR (0.57) CCKARCCKBR
SCHEMBL8406839 0.86 CCKAR (0.44) CCKARCCKBRMC4RMC1R
SCHEMBL8518850 0.85 CCKAR (0.53) CCKARCCKBRMC4RMC1R
SCHEMBL8404998 0.85 CCKAR (0.55) CCKARCCKBR
SCHEMBL8401977 0.84 CCKAR (0.86) CCKARCCKBR
SCHEMBL8803519 0.83 CCKAR (0.67) CCKARCCKBRMC4RMC1R

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