SCHEMBL7320607

SCHEMBL7320607

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.42
PDE4B Q07343 18/20 0.42
PDE4C Q08493 18/20 0.42
PDE4D Q08499 18/20 0.42
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
SCHEMBL10653884 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10669884 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316904 0.88 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318346 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319837 0.87 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10664646 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317240 0.84 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317932 0.84 PDE3B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10650650 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649969 0.82 KMT2A (0.38) 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