SCHEMBL8400987

SCHEMBL8400987

COC(=O)c1cccc(NC(=O)NC2CC(C3CCCCC3)c3ccc(C)cc3N(CC(N)=O)C2=O)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.81
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8403005 0.93 CCKBR (0.75) CCKBR
SCHEMBL8399435 0.92 CCKBR (0.81) CCKBR
Potassium SCHEMBL8400986 0.92 CCKBR (0.80) CCKBR
SCHEMBL9541395 0.86 CCKBR (0.67) CCKBR
SCHEMBL8403236 0.85 CCKBR (0.81) CCKBR
SCHEMBL8403200 0.82 CCKBR (0.65) CCKBR
SCHEMBL8398590 0.82 CCKBR (1.00) CCKBR
SCHEMBL9542994 0.81 CCKBR (0.65) CCKBR
SCHEMBL9541285 0.80 CCKBR (0.79) CCKBR
SCHEMBL8404668 0.77 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 1 patent. 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