SCHEMBL7556840

SCHEMBL7556840

COc1ccc(Cn2c(=O)cc[nH]c2=S)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.55
PDE3A Q14432 1/20 0.46
PDE4A P27815 7/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44

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
SCHEMBL7734184 0.81 GAA (0.61) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL6673366 0.78 PDE4B (0.48) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL7337524 0.77 MPO (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL7556832 0.77 PDE4B (0.55) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL7093510 0.77 MTNR1A (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL7031802 0.75 PDE4B (0.45) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL7676935 0.75 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL8655603 0.75 PDE4B (0.48) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL27495378 0.74 PDE4B (0.57) PDE4B
SCHEMBL7336596 0.74 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D

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