SCHEMBL9865804

SCHEMBL9865804

CN1C(=O)C(NC(=O)NC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 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
SCHEMBL14180309 0.90 CCKBR (0.82) CCKBR
SCHEMBL14180301 0.89 CCKBR (0.81) CCKBR
SCHEMBL14180315 0.88 CCKBR (0.78) CCKBR
SCHEMBL9866668 0.86 CCKBR (1.00) CCKBR
SCHEMBL9864930 0.86 CCKBR (1.00) CCKBR
SCHEMBL9864922 0.86 CCKBR (1.00) CCKBR
SCHEMBL2927644 0.86 CCKBR (0.78) CCKBR
SCHEMBL7207460 0.86 CCKBR (0.78) CCKBR
SCHEMBL14180298 0.84 CCKBR (0.82) CCKBR
SCHEMBL14180368 0.84 CCKBR (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
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