SCHEMBL6228237

SCHEMBL6228237

COc1ccc(C2C=NNC(=O)C2)cc1OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.48
PDE4A P27815 8/20 0.44
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42

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
SCHEMBL498074 0.87 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL6229565 0.84 PDE4A (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL6229342 0.84 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6232341 0.84 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6226932 0.82 PDE4A (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL6232762 0.82 PDE4A (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL6233638 0.82 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6229490 0.81 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL498001 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6232717 0.79 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed