SCHEMBL7624779

SCHEMBL7624779

COc1ccc(C2CN(Cc3ccccc3)CC2(C)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.58
PDE4A P27815 9/20 0.58
PDE4C Q08493 7/20 0.58
PDE4D Q08499 7/20 0.58
PDE7A Q13946 1/20 0.58

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
SCHEMBL5354647 1.00 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5350320 0.96 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5755229 0.94 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5360475 0.94 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5360473 0.94 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5407368 0.94 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7436899 0.93 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5359627 0.90 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14575649 0.90 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL14576183 0.90 PDE4B (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO disclosed