SCHEMBL4039349

SCHEMBL4039349

Cn1cc(C#N)cc1-c1c2c(nn1Cc1ccnc3ccc(Cl)cc13)n(CC1CC1)c(=O)n1cnnc21

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
SCHEMBL13945427 0.90
SCHEMBL5393971 0.89
SCHEMBL4039074 0.88
SCHEMBL4042053 0.88
SCHEMBL5663043 0.88
SCHEMBL4040424 0.88
SCHEMBL4038979 0.86
SCHEMBL5667833 0.86
SCHEMBL5667838 0.86
SCHEMBL5663356 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP claimed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US claimed
JP-2007502307-A 2007-02-08 JP claimed
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) ASTRAZENECA AB (SE) 2006-11-09 US claimed
EP-1664052-A1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2006-06-07 EP claimed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 WO claimed
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-20060252781-A1 Fused heterocycles as inhibitors of glutamate racemase(muri) ASTRAZENECA AB (SE) 2006-11-09 US disclosed
EP-1664052-A1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 WO disclosed