SCHEMBL5756458

SCHEMBL5756458

COc1ccc([C@@H]2CN(C(=O)O)C[C@@]2(C)[C@@H](C)O)cc1OCC#Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.51
AGTR2 P50052 2/20 0.39
PDE4A P27815 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
PDE7A Q13946 1/20 0.37
SLC1A5 Q15758 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5759093 0.94 PDE4B (0.50) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355796 0.94 PDE4B (0.54) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355052 0.93 PDE4B (0.49) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5791891 0.93 PDE4B (0.49) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5350761 0.92 PDE4B (0.51) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5754500 0.92 PDE4B (0.48) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL4524186 0.92 PDE4B (0.49) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5350348 0.92 PDE4B (0.48) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5756309 0.92 PDE4B (0.48) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355394 0.92 PDE4B (0.48) PDE4BAGTR2PDE4APDE4CPDE4D

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