SCHEMBL7327077

SCHEMBL7327077

COc1ccc([C@@H](CNc2cc(Cc3ccccc3)ccn2)NC(=O)OC2CC(C)CCC2C(C)C)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.43
PDE4D Q08499 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL7315030 1.00 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL7322785 0.83 PDE4B (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL7323499 0.83 PDE4B (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL7322841 0.83 PDE4B (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL7326255 0.80 EPHX1 (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7318456 0.80 EPHX1 (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7326179 0.80 EPHX1 (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7325121 0.79 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL7327379 0.79 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL7323507 0.78 PDE4B (0.44) PDE4APDE4DPDE4BPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557408-A4 IMIDAZOLIDINONE COMPOUNDS 1993-10-27 EP disclosed
EP-0557408-A1 IMIDAZOLIDINONE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-01 EP disclosed
WO-1992007567-A1 IMIDAZOLIDINONE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-05-14 WO disclosed