SCHEMBL3239581

SCHEMBL3239581

COc1ccc(-c2cnc(=O)n(Cc3ncco3)c2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.52
PDE4A P27815 12/20 0.52
PDE4B Q07343 8/20 0.52
PDE4C Q08493 8/20 0.52
FPR2 P25090 2/20 0.43

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
SCHEMBL3238900 0.83 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL3231848 0.83 PDE4B (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL3263130 0.82 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL3231830 0.82 PDE4A (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL3232558 0.82 PDE4A (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL3239951 0.82 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL3240498 0.82 PDE4A (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL3236793 0.81 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL3234484 0.81 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL3232546 0.81 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CFPR2

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