SCHEMBL7389735

SCHEMBL7389735

COc1ccc(Cn2c(N3C(=O)c4ccccc4C3=O)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.69
PDE4A P27815 8/20 0.69
PDE4B Q07343 8/20 0.69
PDE4C Q08493 8/20 0.69
PDE4D Q08499 8/20 0.69
ADORA3 P0DMS8 12/20 0.61

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
SCHEMBL8058416 0.84 PDE4A (0.70) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7436549 0.83 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7432167 0.83 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7392696 0.82 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7395155 0.79 PDE4A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1241264 0.78 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7390028 0.78 PDE4A (0.92) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7451032 0.76 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7440118 0.76 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7394813 0.76 PDE5A (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992005176-A1 XANTHINES BEECHAM GROUP PLC (GB) 1992-04-02 WO claimed
EP-0550559-A1 XANTHINES Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005176-A1 XANTHINES BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed