SCHEMBL4046321

SCHEMBL4046321

CN1Cc2c(C#N)ncn2-c2cccc(Cl)c2C1=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.73
GABRB3 P28472 4/20 0.73
GABRA5 P31644 4/20 0.73
GABRA1 P14867 3/20 0.73
GABRA3 P34903 3/20 0.73
GABRA2 P47869 3/20 0.73
GABRA6 Q16445 3/20 0.73
GABRP O00591 2/20 0.73
GABRD O14764 2/20 0.73
GABRB1 P18505 2/20 0.73
GRM5 P41594 2/20 0.73
GABRB2 P47870 2/20 0.73
GABRA4 P48169 2/20 0.73
GABRE P78334 2/20 0.73
GABRG1 Q8N1C3 2/20 0.73
GABRG3 Q99928 2/20 0.73
GABRQ Q9UN88 2/20 0.73

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
SCHEMBL10571474 0.89 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9669365 0.88 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10568770 0.86 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10572939 0.86 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7392017 0.86 GABRA1 (0.55) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8871332 0.86 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10570174 0.85 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9669317 0.84 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10576549 0.84 GABRA1 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9668375 0.84 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426771-B Process for manufacturing diazepine derivatives HOFFMANN LA ROCHE 2011-11-16 CN disclosed
CN-101426771-A Process for manufacturing diazepine derivatives HOFFMANN LA ROCHE (CH) 2009-05-06 CN disclosed
WO-2009024324-A2 TREATMENT OF SLEEP DISORDERS EVOTEC NEUROSCIENCES GMBH (DE) 2009-02-26 WO disclosed
EP-1202977-B1 PROCESS FOR MANUFACTURING DIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-12-17 EP disclosed
EP-1202977-A2 PROCESS FOR MANUFACTURING DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-08 EP disclosed
US-6281353-B1 EXPANSION WITH AN AMINECARBOXY COMPOUND THE CORRESPONDING3,1-BENZOXAZIN-2,4-DIONE COMPOUND HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000069835-A2 PROCESS FOR MANUFACTURING DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-11-23 WO disclosed
EP-0790999-A1 OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-08-27 EP disclosed
WO-1996015129-A1 OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1996-05-23 WO disclosed
US-4622320-A CENTRAL NERVOUS SYSTEM DISORDERS AS FERROSAN (DK) 1986-11-11 US disclosed