SCHEMBL7432167

SCHEMBL7432167

COc1ccc(Cn2c(O)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.79
PDE4A P27815 11/20 0.79
PDE4B Q07343 11/20 0.79
PDE4C Q08493 11/20 0.79
PDE4D Q08499 11/20 0.79
ADORA3 P0DMS8 8/20 0.66

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
SCHEMBL7436549 0.89 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7392696 0.88 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7389735 0.83 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7451032 0.81 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1241264 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7440118 0.81 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7390028 0.81 PDE4A (0.92) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400772 0.81 PDE5A (0.65) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7397039 0.80 PDE5A (0.66) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7438586 0.80 PDE5A (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550570-A1 XANTHINE DERIVATIVES Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005175-A1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed