SCHEMBL7401994

SCHEMBL7401994

COCn1c(NCCC(COC(C)=O)COC(C)=O)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.42
PDE4A P27815 19/20 0.42
PDE4B Q07343 19/20 0.42
PDE4C Q08493 19/20 0.42
PDE4D Q08499 19/20 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
SCHEMBL7395398 0.88 PDE5A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7399841 0.85 PDE5A (0.61) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400643 0.74 PDE5A (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400772 0.73 PDE5A (0.65) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7432167 0.59 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400872 0.59 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400585 0.57 PDE4A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7436549 0.57 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9350760 0.57 PDE4A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7493467 0.57 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D

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-1993023401-A1 8-SUBSTITUTED ANTHINES AS PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1993-11-25 WO disclosed