SCHEMBL7320525

SCHEMBL7320525

COc1ccc([C@](C)(NCc2ccc([N+](=O)[O-])cc2)NC(=O)OC2CC(C)CCC2C(C)C)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.42
PDE4B Q07343 4/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE5A O76074 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
EPHX1 P07099 2/20 0.36
CYP19A1 P11511 2/20 0.34

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
SCHEMBL7324386 0.91 SERPINE1 (0.40) SERPINE1PDE4BPDE4APDE4CPDE4D
SCHEMBL7325124 0.90 TRPV1 (0.40) SERPINE1PDE4BPDE4APDE4CPDE4D
SCHEMBL7327388 0.90 TRPV1 (0.40) SERPINE1PDE4BPDE4APDE4CPDE4D
SCHEMBL7328147 0.83 SERPINE1 (0.39) SERPINE1PDE4BPDE4APDE4CPDE4D
SCHEMBL7326213 0.83 SERPINE1 (0.37) SERPINE1PDE4BPDE4APDE4CPDE4D
SCHEMBL7329516 0.83 SERPINE1 (0.37) SERPINE1PDE4BPDE4APDE4CPDE4D
SCHEMBL7323406 0.82 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7322794 0.81 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DEPHX1
SCHEMBL7322847 0.81 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DEPHX1
SCHEMBL7327414 0.76 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE5A

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