SCHEMBL641682

SCHEMBL641682

O=C1C=CC=C2NCNC=C12

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
SCHEMBL29617427 0.72
SCHEMBL27622531 0.69
SCHEMBL28042159 0.67
SCHEMBL12542798 0.64
SCHEMBL3885051 0.63
SCHEMBL3883020 0.63
SCHEMBL3384236 0.59
SCHEMBL26686729 0.59
SCHEMBL32667916 0.59
SCHEMBL28515136 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-20120174240-A1 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2012-07-05 US disclosed
US-8119854-B2 Role of proteoglycans in drug dependence Sanna, Pietro P. (US) 2012-02-21 US disclosed
US-20100199361-A1 Role of Proteoglycans in Drug Dependence Sanna, Pietro Paolo (US) 2010-08-05 US disclosed
EP-1957112-A2 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE Sanna, Pietro Paolo (US) 2008-08-20 EP disclosed
WO-2007062048-A2 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SCRIPPS RESEARCH INST (US) 2007-05-31 WO disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 US disclosed
US-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 US disclosed
EP-1319010-B1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INST FUER B (DE) 2003-12-17 EP disclosed
EP-1319010-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-06-18 EP disclosed
WO-2002024710-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2002-03-28 WO disclosed