SCHEMBL5757932

SCHEMBL5757932

COc1ccc(C2CC(=O)N(CCOc3cccc(Cl)c3)C2)cc1OC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.49
PDE4B Q07343 9/20 0.47
PDE4C Q08493 7/20 0.47
PDE4D Q08499 7/20 0.47
PLA2G7 Q13093 1/20 0.42
FKBP5 Q13451 1/20 0.40
HTR2C P28335 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3542915 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5762460 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5760783 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL4462030 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5194231 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL3544886 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL3539215 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5197256 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL5194511 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPLA2G7
SCHEMBL3551154 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPLA2G7

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-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed