SCHEMBL9842427

SCHEMBL9842427

CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 1.00
CCKAR P32238 1/20 0.62

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
SCHEMBL7596784 0.89 CCKBR (0.83) CCKBRCCKAR
SCHEMBL10699520 0.89 CCKBR (0.83) CCKBRCCKAR
SCHEMBL1574723 0.87 CCKAR (0.81) CCKBRCCKAR
SCHEMBL1574725 0.87 CCKAR (0.81) CCKBRCCKAR
SCHEMBL6938058 0.87 CCKAR (0.81) CCKBRCCKAR
SCHEMBL6938055 0.87 CCKAR (0.81) CCKBRCCKAR
SCHEMBL9090501 0.86 CYP3A4 (0.82) CCKBRCCKAR
SCHEMBL9423085 0.86 CCKBR (1.00) CCKBR
SCHEMBL9866502 0.85 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9866033 0.85 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 EP claimed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 EP 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