SCHEMBL5754500

SCHEMBL5754500

COc1ccc([C@@H]2CN(C(=O)O)C[C@@]2(C)[C@@H](C)O)cc1OCC#Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.48
AGTR2 P50052 3/20 0.40
PDE4A P27815 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
PDE7A Q13946 1/20 0.36
EGLN1 Q9GZT9 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL5357303 0.93 PDE4B (0.51) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5357925 0.93 PDE4B (0.47) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5790094 0.93 PDE4B (0.47) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5756458 0.92 PDE4B (0.51) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5359900 0.92 PDE4B (0.48) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355097 0.89 PDE4B (0.46) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5755292 0.87 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5355796 0.86 PDE4B (0.54) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5759093 0.86 PDE4B (0.50) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5757628 0.86 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 claimed