SCHEMBL9542994

SCHEMBL9542994

CCc1cccc(NC(=O)NC2CC(C3CCCCC3)c3ccccc3N(CC(N)=O)C2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.65
SMN1; SMN2 Q16637 1/20 0.50
NPY1R P25929 2/20 0.45

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
SCHEMBL9541395 0.90 CCKBR (0.67) CCKBR
SCHEMBL8919602 0.89 CCKBR (0.82) CCKBR
SCHEMBL9541285 0.89 CCKBR (0.79) CCKBR
SCHEMBL8400987 0.81 CCKBR (0.81) CCKBR
SCHEMBL9541536 0.81 CCKBR (0.70) CCKBR
SCHEMBL8399435 0.81 CCKBR (0.81) CCKBR
Potassium SCHEMBL8400986 0.80 CCKBR (0.80) CCKBR
SCHEMBL8919449 0.79 CCKBR (0.84) CCKBR
SCHEMBL8403005 0.79 CCKBR (0.75) CCKBR
SCHEMBL8485755 0.79 CCKBR (1.00) 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
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed