SCHEMBL7325901

SCHEMBL7325901

COc1ccc(C(N)C#N)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.54
PDE4B Q07343 8/20 0.53
PDE4D Q08499 6/20 0.53
PDE4C Q08493 5/20 0.53
ACHE P22303 2/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48

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
Hydrochloric Acid SCHEMBL7325827 0.99 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CACHE
Acetic Acid SCHEMBL2459347 0.93 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL8574011 0.87 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL29061973 0.85 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL29061976 0.85 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL7322576 0.85 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL11428703 0.84 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL4637252 0.83 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7352136 0.83 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL8574005 0.83 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C

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