SCHEMBL7319752

SCHEMBL7319752

NC1=Nc2cccc(OCCCC(=O)NN3CCCC4CCCCC43)c2CN1CC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.37
PDE4B Q07343 18/20 0.37
PDE4C Q08493 18/20 0.37
PDE4D Q08499 18/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL10647737 0.90 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320216 0.89 HSD11B1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314469 0.88 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310359 0.87 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307123 0.86 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10650657 0.75 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10650621 0.75 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10652617 0.75 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647542 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL10648259 0.74 PDE4A (0.37) 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