SCHEMBL9544198

SCHEMBL9544198

COc1cccc(NC(=O)NC2CC(c3ccccc3F)c3ccccc3N(CC(N)=O)C2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.67
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL9542991 0.92 CCKBR (0.72) CCKBR
SCHEMBL8920447 0.90 CCKBR (0.83) CCKBR
SCHEMBL9544070 0.89 CCKBR (0.65) CCKBR
SCHEMBL9541524 0.89 CCKBR (0.72) CCKBR
SCHEMBL9541543 0.88 CCKBR (0.71) CCKBR
SCHEMBL9541637 0.87 CCKBR (0.64) CCKBR
SCHEMBL9541520 0.87 CCKBR (0.70) CCKBR
SCHEMBL9544138 0.83 CCKBR (0.68) CCKBR
SCHEMBL9541293 0.82 CCKBR (0.69) CCKBR
SCHEMBL8922634 0.81 CCKBR (0.90) 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