SCHEMBL7379489

SCHEMBL7379489

CCNc1ncn(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc(C(C)COCc3ccccc3)nc1-2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.48
PDE4B Q07343 17/20 0.48
PDE4C Q08493 17/20 0.48
PDE4D Q08499 17/20 0.48
SSTR5 P35346 1/20 0.38

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
SCHEMBL7381350 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL7380119 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSSTR5
SCHEMBL196243 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL29623586 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7379042 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSSTR5
Hydrochloric Acid SCHEMBL30543740 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL154624 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7381816 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL7384774 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7205525 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D

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
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed