SCHEMBL5755814

SCHEMBL5755814

COc1ccc([C@@H]2CN(C(=O)O)C[C@@]2(C)[C@@H](C)O)cc1OCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.53
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
SIGMAR1 Q99720 1/20 0.41
SCN9A Q15858 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
SCHEMBL5755588 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL5754945 0.97 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL5755237 0.97 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL5759358 0.95 PDE4B (0.53) PDE4BSIGMAR1
SCHEMBL5756191 0.95 PDE4B (0.53) PDE4BSIGMAR1
SCHEMBL5356884 0.93 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL5357639 0.93 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL14577351 0.93 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7361038 0.93 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7697445 0.92 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DSIGMAR1

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