SCHEMBL5754589

SCHEMBL5754589

COc1ccc([C@@H]2CN(C(=O)[C@@H](CC(=O)O)C3CCCCC3)C[C@@]2(C)[C@@H](C)O)cc1OCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.49
PDE4A P27815 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
PDE7A Q13946 1/20 0.40

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
SCHEMBL5356648 0.90 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5359442 0.90 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL6899974 0.90 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5756312 0.89 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5361735 0.89 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5350456 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5358611 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5350461 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5351131 0.86 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5755235 0.86 PDE4B (0.50) 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 claimed