SCHEMBL3963902

SCHEMBL3963902

C1=CN2C=NCC2=CN=C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10936877 0.61
SCHEMBL14746363 0.60
SCHEMBL17232939 0.60
SCHEMBL9959291 0.56
SCHEMBL6163592 0.52
SCHEMBL3628672 0.47
SCHEMBL28052554 0.46
SCHEMBL5888231 0.45
SCHEMBL5100457 0.44
SCHEMBL12079523 0.38

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 51 patents — showing the first 20. 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
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
EP-1202977-B1 PROCESS FOR MANUFACTURING DIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-12-17 EP 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
EP-1202977-A2 PROCESS FOR MANUFACTURING DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-08 EP disclosed
WO-2000069835-A3 PROCESS FOR MANUFACTURING DIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-03-07 WO 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
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 EP disclosed