SCHEMBL7318346

SCHEMBL7318346

CN(C(=O)CCCOc1cccc2c1CN(CC(=O)OCC(C)(C)C)C(N)=N2)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.51
PDE4B Q07343 18/20 0.51
PDE4C Q08493 18/20 0.51
PDE4D Q08499 18/20 0.51
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40

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
SCHEMBL10650650 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10664646 0.88 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320607 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312612 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319810 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10651364 0.85 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313246 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10669884 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10653884 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647127 0.82 PDE3B (0.39) PDE4APDE4BPDE4CPDE4DPDE3B

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