SCHEMBL3231848

SCHEMBL3231848

COc1ccc(-c2cnc(=O)n(Cc3ncc[nH]3)c2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.52
PDE4A P27815 13/20 0.52
PDE4C Q08493 11/20 0.52
PDE4D Q08499 11/20 0.52

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
SCHEMBL3236235 0.85 PDE4A (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL3231830 0.83 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL3239581 0.83 PDE4D (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL3232558 0.83 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL3232600 0.83 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL3263227 0.82 PDE4D (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL3236257 0.81 PDE4A (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL3263130 0.81 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL2371367 0.81 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL3239951 0.81 PDE4A (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010029299-A1 PYRIMIDINONE DERIVATIES FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2010-03-18 WO disclosed