SCHEMBL3262220

SCHEMBL3262220

COc1ccc(C2=CN(Cc3nc4ccc(C)cc4o3)C(=O)NC2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.50
PDE4B Q07343 10/20 0.50
PDE4C Q08493 10/20 0.50
PDE4D Q08499 10/20 0.50
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL3224875 0.94 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3263016 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3227713 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3238589 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3238726 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3264711 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3234652 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3262194 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3238567 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3265583 0.85 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DS1PR1

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