SCHEMBL7092092

SCHEMBL7092092

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.74
HDAC4 P56524 5/20 0.74
HDAC1 Q13547 5/20 0.74
HDAC7 Q8WUI4 5/20 0.74
HDAC2 Q92769 5/20 0.74
HDAC10 Q969S8 5/20 0.74
HDAC11 Q96DB2 5/20 0.74
HDAC8 Q9BY41 5/20 0.74
HDAC6 Q9UBN7 5/20 0.74
HDAC9 Q9UKV0 5/20 0.74
HDAC5 Q9UQL6 5/20 0.74
CCKBR P32239 12/20 0.71
CCKAR P32238 4/20 0.69
GABRP O00591 1/20 0.69
GABRD O14764 1/20 0.69
GABRA1 P14867 1/20 0.69
GABRB1 P18505 1/20 0.69
GABRG2 P18507 1/20 0.69
GABRB3 P28472 1/20 0.69
GABRA5 P31644 1/20 0.69

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
SCHEMBL29499518 0.90 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8617432 0.90 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29437013 0.90 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8609474 0.88 CCKBR (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7207460 0.87 CCKBR (0.78) CCKBRCCKAR
SCHEMBL2927644 0.87 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9868689 0.87 CCKBR (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9868684 0.87 CCKBR (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7093265 0.86 CCKBR (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7170310 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
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-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 CN 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-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP 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