SCHEMBL7787744

SCHEMBL7787744

COC(=O)N[C@@H]1CCC[C@@](C#N)(c2ccc(OC)c(OC3CCCC3)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.63
PDE4B Q07343 20/20 0.63
PDE4C Q08493 20/20 0.63
PDE4D Q08499 20/20 0.63

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
SCHEMBL7335922 1.00 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7335920 1.00 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL8574868 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7328117 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7331457 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7328122 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL8573925 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7328726 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL7790560 0.92 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7331074 0.92 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D

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-0722322-B1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORP (US) 2001-11-14 EP claimed
EP-0722322-B1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION THEREWITH SMITHKLINE BEECHAM CORP (US) 2001-11-14 EP disclosed