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SCHEMBL2371367

SCHEMBL2371367

COc1ccc(-c2cnc(=O)n(Cc3cccc(C)c3)c2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.52
▸ PDE4D Q08499 13/20 0.52
▸ PDE4B Q07343 11/20 0.52
▸ PDE4C Q08493 11/20 0.52
▸ PDE5A O76074 1/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ PDE1C Q14123 1/20 0.45
▸ FPR2 P25090 1/20 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
SCHEMBL3239951 0.82 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3263227 0.81 PDE4D (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL3231848 0.81 PDE4B (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL3234484 0.81 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3239572 0.81 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3234463 0.80 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3263130 0.80 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3231830 0.80 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL3232558 0.80 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL3239581 0.80 PDE4D (0.52) PDE4APDE4DPDE4BPDE4CFPR2

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-2011114103-A1 PYRIMIDINONES FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2011-09-22 — — WO disclosed