SCHEMBL8610053

SCHEMBL8610053

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

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.80
KCNH2 Q12809 1/20 0.70
SCN9A Q15858 1/20 0.68
CCKAR P32238 2/20 0.67

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
SCHEMBL6301539 0.92 CCKBR (0.74) CCKBRKCNH2SCN9ACCKAR
SCHEMBL6310025 0.92 CCKBR (0.74) CCKBRKCNH2SCN9ACCKAR
SCHEMBL9868116 0.89 CCKBR (1.00) CCKBRKCNH2CCKAR
SCHEMBL9868120 0.89 CCKBR (1.00) CCKBRKCNH2CCKAR
SCHEMBL4189616 0.87 CCKBR (0.77) CCKBRKCNH2SCN9ACCKAR
SCHEMBL4189611 0.87 CCKBR (0.77) CCKBRKCNH2SCN9ACCKAR
SCHEMBL4414763 0.87 CCKBR (0.83) CCKBRKCNH2CCKAR
SCHEMBL6301977 0.87 CCKBR (0.83) CCKBRKCNH2CCKAR
SCHEMBL7067691 0.87 CCKBR (0.83) CCKBRKCNH2CCKAR
SCHEMBL2927644 0.86 CCKBR (0.78) CCKBRCCKAR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US disclosed
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 EP disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5597818-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-28 US disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed