SCHEMBL7090201

SCHEMBL7090201

CN1C(=O)C(N)N=C(c2ccccc2)c2ccncc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.74
GABRD O14764 1/20 0.74
GABRA1 P14867 1/20 0.74
GABRB1 P18505 1/20 0.74
GABRG2 P18507 1/20 0.74
GABRB3 P28472 1/20 0.74
GABRA5 P31644 1/20 0.74
GABRA3 P34903 1/20 0.74
GABRA2 P47869 1/20 0.74
GABRB2 P47870 1/20 0.74
GABRA4 P48169 1/20 0.74
GABRE P78334 1/20 0.74
GABRA6 Q16445 1/20 0.74
GABRG1 Q8N1C3 1/20 0.74
GABRG3 Q99928 1/20 0.74
GABRQ Q9UN88 1/20 0.74
CCKBR P32239 10/20 0.48
HDAC1 Q13547 1/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44

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
SCHEMBL7087683 0.90 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1835654 0.85 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2929181 0.85 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2923672 0.85 GABRA1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9432235 0.84 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9432239 0.84 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9432242 0.84 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9865943 0.80 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9865949 0.80 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9865938 0.80 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2

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
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-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