SCHEMBL8247841

SCHEMBL8247841

COc1ccc(-c2cc3c(cn2)nc(NCC(=O)N2CCC(O)CC2)c(=O)n3CCOCC(F)(F)F)cn1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.83
PDE6A P16499 19/20 0.83
PDE4B Q07343 1/20 0.63
PDE4D Q08499 1/20 0.63
PDE11A Q9HCR9 1/20 0.63

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
SCHEMBL8247858 0.92 PDE5A (0.83) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8246715 0.91 PDE5A (0.83) PDE5APDE6APDE11A
SCHEMBL5812205 0.91 PDE5A (1.00) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8247862 0.90 PDE5A (0.84) PDE5APDE6APDE11A
SCHEMBL8239865 0.87 PDE5A (0.81) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8248174 0.86 PDE5A (0.81) PDE5APDE6A
SCHEMBL8248172 0.86 PDE5A (0.81) PDE5APDE6A
SCHEMBL8248168 0.86 PDE5A (0.83) PDE5APDE6A
SCHEMBL8241078 0.84 PDE5A (0.65) PDE5APDE6A
SCHEMBL5815107 0.84 PDE5A (1.00) PDE5APDE6APDE11A

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-2006126082-A2 PYRIDINE [3,4-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 WO disclosed