SCHEMBL7317319

SCHEMBL7317319

NC1=Nc2cc(OCCCC(=O)NN3CCCCC3)ccc2CN1CC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.48
PDE4B Q07343 20/20 0.48
PDE4C Q08493 20/20 0.48
PDE4D Q08499 20/20 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
SCHEMBL7306174 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311023 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312716 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307091 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310210 0.85 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306779 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317311 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319543 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7318662 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651985 0.77 PDE4A (0.49) 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