SCHEMBL7329516

SCHEMBL7329516

COc1ccc([C@@](C)(NCc2ccc(N)cc2N)NC(=O)OC2CC(C)CCC2C(C)C)cc1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
EPHX1 P07099 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
EPHX2 P34913 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PDE4B Q07343 9/20 0.35
PDE4A P27815 7/20 0.35
PDE4C Q08493 7/20 0.35
PDE4D Q08499 7/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7326213 1.00 SERPINE1 (0.37) SERPINE1EPHX1ALDH1A1HPGDEPHX2
SCHEMBL7325124 0.91 TRPV1 (0.40) SERPINE1EPHX1ALDH1A1HPGDMAPT
SCHEMBL7327388 0.91 TRPV1 (0.40) SERPINE1EPHX1ALDH1A1HPGDMAPT
SCHEMBL7324386 0.85 SERPINE1 (0.40) SERPINE1EPHX1EPHX2PDE4BPDE4A
SCHEMBL7320525 0.83 SERPINE1 (0.42) SERPINE1EPHX1TRPV1PDE4BPDE4A
SCHEMBL7326208 0.81 PDE4A (0.38) SERPINE1EPHX1ALDH1A1HPGDEPHX2
SCHEMBL7329509 0.81 PDE4A (0.38) SERPINE1EPHX1ALDH1A1HPGDEPHX2
SCHEMBL7322794 0.80 PDE4B (0.45) EPHX1PDE4BPDE4APDE4CPDE4D
SCHEMBL7322847 0.80 PDE4B (0.45) EPHX1PDE4BPDE4APDE4CPDE4D
SCHEMBL7328147 0.77 SERPINE1 (0.39) SERPINE1EPHX1PDE4BPDE4APDE4C

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