SCHEMBL5754430

SCHEMBL5754430

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.50
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 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
SCHEMBL5789331 0.91 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5362999 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5757071 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5368539 0.90 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5350811 0.90 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5756225 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL5756408 0.89 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5752963 0.89 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5368172 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5755503 0.88 PDE4B (0.49) 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