SCHEMBL5756896

SCHEMBL5756896

COc1ccc([C@@H]2CN(C(=O)[CH]c3ccc(F)cc3)C[C@@]2(C)[C@@H](C)O)cc1OCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.46
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39

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
SCHEMBL5757434 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL5756898 0.86 PDE4B (0.47) PDE4B
SCHEMBL5368071 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL5753806 0.85 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL5757067 0.85 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL5752963 0.84 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL5756408 0.84 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL5789327 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL5791078 0.83 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL5359249 0.83 PDE4B (0.54) 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 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