SCHEMBL9865530

SCHEMBL9865530

COc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 1.00

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
SCHEMBL14180369 0.92 CCKBR (0.85) CCKBR
SCHEMBL9866668 0.91 CCKBR (1.00) CCKBR
SCHEMBL9842663 0.91 CCKBR (1.00) CCKBR
SCHEMBL9842670 0.91 CCKBR (1.00) CCKBR
SCHEMBL9866099 0.91 CCKBR (1.00) CCKBR
SCHEMBL14180356 0.89 CCKBR (0.81) CCKBR
SCHEMBL14179817 0.89 CCKBR (0.80) CCKBR
SCHEMBL9842500 0.89 CCKBR (1.00) CCKBR
SCHEMBL9842493 0.89 CCKBR (1.00) CCKBR
SCHEMBL14180352 0.89 CCKBR (0.82) 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 3 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
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed