SCHEMBL8399449

SCHEMBL8399449

COC(=O)c1cccc(NC(=O)NC2CC(c3ccccc3C)CC(c3ccccc3)N(CC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.82

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
SCHEMBL7865149 0.93 CCKBR (0.85) CCKBR
SCHEMBL8558935 0.92 CCKBR (0.84) CCKBR
SCHEMBL7874167 0.87 CCKBR (0.75) CCKBR
SCHEMBL7874284 0.87 CCKBR (0.74) CCKBR
SCHEMBL7865185 0.87 CCKBR (0.85) CCKBR
SCHEMBL7865173 0.83 CCKBR (0.72) CCKBR
SCHEMBL8921507 0.82 CCKBR (1.00) CCKBR
SCHEMBL7865193 0.82 CCKBR (0.77) CCKBR
SCHEMBL7872636 0.82 CCKBR (0.74) CCKBR
SCHEMBL8921116 0.82 CCKBR (0.80) CCKBR

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-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed