SCHEMBL7672145

SCHEMBL7672145

O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O

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
SCHEMBL9865997 0.93 CCKBR (1.00) CCKBR
SCHEMBL9868733 0.89 CCKBR (1.00) CCKBR
SCHEMBL9573578 0.86 CCKBR (0.79) CCKBR
SCHEMBL9866502 0.84 CCKBR (1.00) CCKBR
SCHEMBL9867257 0.84 CCKBR (1.00) CCKBR
SCHEMBL9866033 0.83 CCKBR (1.00) CCKBR
SCHEMBL9865215 0.83 CCKBR (1.00) CCKBR
SCHEMBL9866172 0.83 CCKBR (1.00) CCKBR
SCHEMBL9596496 0.83 CCKBR (0.71) CCKBR
SCHEMBL9595792 0.83 CCKBR (0.76) 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 13 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
US-6492531-B1 THE INVENTION CONCERNS CHOLECYSTOKININ (CCK) ANTAGONISTS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS. ESPECIALLY USEFUL ARE CCK.SUB.B ANTAGONISTS SUCH AS CI-988. WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
EP-0729752-A2 Central cholecystokinin antagonists having pharmaceutical activity MERCK SHARP & DOHME LTD. (GB) 1996-09-04 EP disclosed
EP-0617621-A4 CENTRAL CHOLECYSTOKININ ANTAGONISTS HAVING PHARMACEUTICAL ACTIVITY. MERCK SHARP & DOHME (GB) 1995-04-05 EP disclosed
EP-0617621-A1 CENTRAL CHOLECYSTOKININ ANTAGONISTS HAVING PHARMACEUTICAL ACTIVITY MERCK SHARP & DOHME LTD. (GB) 1994-10-05 EP disclosed
WO-1993012791-A1 CENTRAL CHOLECYSTOKININ ANTAGONISTS HAVING PHARMACEUTICAL ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 1993-07-08 WO disclosed
WO-1993012817-A1 THERAPEUTIC COMBINATIONS USEFUL IN THE TREATMENT OF GASTROESOPHAGEAL REFLUX DISEASE WARNER-LAMBERT COMPANY (US) 1993-07-08 WO disclosed
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
EP-0274324-A1 Process for the preparation of thienylethyl amines, and dithienylethyl amines so obtained SANOFI (FR) 1988-07-13 EP disclosed