SCHEMBL9842589

SCHEMBL9842589

CN1C(=O)[C@@H](NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 1.00
CCKAR P32238 2/20 0.74

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
SCHEMBL9842598 1.00 CCKBR (1.00) CCKBRCCKAR
SCHEMBL14180361 0.93 CCKBR (0.87) CCKBRCCKAR
SCHEMBL14180349 0.91 CCKBR (0.83) CCKBR
SCHEMBL8611868 0.90 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7092119 0.90 CCKBR (1.00) CCKBRCCKAR
SCHEMBL14180431 0.90 CCKBR (0.82) CCKBRCCKAR
SCHEMBL14179844 0.89 CCKBR (0.80) CCKBRCCKAR
SCHEMBL14180357 0.89 CCKBR (0.80) CCKBR
SCHEMBL20194542 0.88 CCKBR (0.78) CCKBR
SCHEMBL14180364 0.88 CCKBR (0.78) 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