SCHEMBL5757182

SCHEMBL5757182

COc1ccc(C2CN(C(=O)[C@@H](C)N)CC2(C)[C@@H](C)O)cc1OCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.55
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE7A Q13946 1/20 0.41

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
SCHEMBL5359162 1.00 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355594 1.00 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL6756682 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5358630 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5351121 0.93 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5351131 0.93 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14611609 0.92 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5351555 0.91 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14576569 0.91 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5349958 0.91 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP disclosed