SCHEMBL3260690

SCHEMBL3260690

COc1ccc(-c2cnc(=O)n(Cc3cc4ccccc4s3)c2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.48
PDE4D Q08499 10/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 9/20 0.48
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
GAK O14976 1/20 0.40
FPR2 P25090 2/20 0.40

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
SCHEMBL3234862 0.86 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CHCRTR1
SCHEMBL3263130 0.84 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3239951 0.84 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3236840 0.83 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CHCRTR1
SCHEMBL3236855 0.82 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3260692 0.82 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3234463 0.81 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3240498 0.81 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3234470 0.80 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3236235 0.80 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C

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