SCHEMBL7861139

SCHEMBL7861139

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.48
PDE4B Q07343 20/20 0.48
PDE4C Q08493 20/20 0.48
PDE4D Q08499 20/20 0.48

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
Hydrochloric Acid SCHEMBL7862248 0.99 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL1817928 0.90 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL4282932 0.89 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7382150 0.87 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL196243 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL29623586 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7858949 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7853215 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL154624 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL30543740 0.86 PDE4A (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045849-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2001-10-31 EP claimed
EP-1045849-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2000-10-25 EP claimed
WO-1999031102-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE, S.A. (LU) 1999-06-24 WO claimed
EP-1045849-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2001-10-31 EP disclosed
EP-1045849-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2000-10-25 EP disclosed
WO-1999031102-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE, S.A. (LU) 1999-06-24 WO disclosed