SCHEMBL7400529

SCHEMBL7400529

Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.82
PDE4A P27815 20/20 0.82
PDE4B Q07343 20/20 0.82
PDE4C Q08493 20/20 0.82
PDE4D Q08499 20/20 0.82

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
SCHEMBL7497555 0.91 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7399332 0.90 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400136 0.82 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8070054 0.81 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7394935 0.81 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7395907 0.78 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400203 0.78 PDE4A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7400052 0.78 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7397313 0.77 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7395737 0.74 PDE5A (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563168-B1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 2000-07-05 EP claimed
EP-0563168-B1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 2000-07-05 EP disclosed
US-5409934-A Antiallergens BEECHAM GROUP P.L.C. (GB) 1995-04-25 US disclosed
EP-0563168-A1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 1993-10-06 EP disclosed
WO-1992011260-A1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-07-09 WO disclosed