SCHEMBL1058201

SCHEMBL1058201

C=C(C)COC(=O)c1c(C)nc2c(cnn2CCCCC)c1N

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
SCHEMBL10961954 0.91
SCHEMBL10959617 0.90
SCHEMBL1054248 0.86
SCHEMBL1056628 0.86
SCHEMBL10961461 0.86
Hydrochloric Acid SCHEMBL10961454 0.85
SCHEMBL1057926 0.85
SCHEMBL1057372 0.84
SCHEMBL10958434 0.83
SCHEMBL10960459 0.83

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
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US claimed
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP claimed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US claimed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US claimed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US claimed
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2012-08-09 US disclosed
US-7872015-B2 Methods involving PDE4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2011-01-18 US disclosed
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US disclosed
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies EXONHIT THERAPEUTICS SA (FR) 2009-12-24 US disclosed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US disclosed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US disclosed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US disclosed
US-4552883-A CNS DEPRESSANTS, ANXIOLYTICS ICI AMERICAS INC. (US) 1985-11-12 US disclosed
EP-0096995-A2 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-12-28 EP disclosed