SCHEMBL9865708

SCHEMBL9865708

COc1cccc(N(C(N)=O)C2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.57
CCKAR P32238 11/20 0.57

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
SCHEMBL9867211 0.89 CCKBR (0.56) CCKBRCCKAR
SCHEMBL7308632 0.80 CCKBR (0.41) CCKBRCCKAR
SCHEMBL7312531 0.78 CCKBR (0.40) CCKBRCCKAR
SCHEMBL8863378 0.77 CCKBR (0.55) CCKBRCCKAR
SCHEMBL7626581 0.77 CCKBR (0.55) CCKBRCCKAR
SCHEMBL8774581 0.76 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8774572 0.76 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8774381 0.75 CCKBR (0.54) CCKBRCCKAR
SCHEMBL8774379 0.74 CCKBR (0.52) CCKBRCCKAR
SCHEMBL8774370 0.74 CCKBR (0.52) CCKBRCCKAR

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
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed