SCHEMBL7752993

SCHEMBL7752993

CC(C)N(C(=O)CN1C(=O)C(NC(=O)c2cc3ccccc3n2CC(=O)O)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 13/20 0.78
CCKBR P32239 13/20 0.78

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
SCHEMBL7752712 0.91 CCKAR (0.73) CCKARCCKBR
SCHEMBL8089891 0.82 CCKAR (0.54) CCKARCCKBR
SCHEMBL8783591 0.81 CCKBR (0.52) CCKARCCKBR
SCHEMBL7747691 0.78 CCKBR (1.00) CCKARCCKBR
SCHEMBL7752996 0.76 CCKBR (0.47) CCKARCCKBR
SCHEMBL3890199 0.76 CCKAR (1.00) CCKARCCKBR
SCHEMBL8095851 0.75 ACE (0.46) CCKARCCKBR
SCHEMBL8089993 0.75 ACE (0.46) CCKARCCKBR
SCHEMBL7550570 0.74 CCKAR (0.67) CCKARCCKBR
SCHEMBL7752992 0.72 CCKAR (0.65) 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-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed