SCHEMBL5755434

SCHEMBL5755434

COc1ccc([C@@H]2CN(C(=O)[C@H](CC(=O)O)Cc3ccccc3)C[C@@]2(C)[C@@H](C)O)cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.50
PDE4A P27815 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PDE1C Q14123 1/20 0.36

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
SCHEMBL5359528 0.90 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5355973 0.90 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5755235 0.90 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL5757334 0.90 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL5757402 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL5362577 0.87 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5371305 0.87 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5362574 0.87 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5351742 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL5757437 0.85 PDE4B (0.50) 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 claimed