SCHEMBL7320642

SCHEMBL7320642

CN(C(=O)CCCOc1ccc2c(c1)CN(CC(=O)OCc1ccccc1)C(N)=N2)C1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.83
PDE4B Q07343 20/20 0.83
PDE4C Q08493 20/20 0.83
PDE4D Q08499 20/20 0.83

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
SCHEMBL7311640 0.94 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307587 0.94 PDE4A (0.83) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309152 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL10665259 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL10646842 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319266 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL7352745 0.89 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307533 0.88 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320328 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317776 0.88 PDE4A (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761416-A ENZYME INHIBITORS, INOTROPIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-02 US disclosed
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed
EP-0254327-A2 N-N-disubstituted-omega-(2-amino-3-(carbonylmethyl)-3,4-dihydroquinazolinyl) oxyalkylamides and related compounds SYNTEX (U.S.A.) INC. (US) 1988-01-27 EP disclosed