SCHEMBL10650053

SCHEMBL10650053

CCCCCCN(C(=O)CCCCOc1cccc2c1N=C(N)N(CC(=O)Oc1ccccc1N(C)C)C2)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.42
PDE4B Q07343 20/20 0.42
PDE4C Q08493 20/20 0.42
PDE4D Q08499 20/20 0.42

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
SCHEMBL10650057 0.90 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL10670421 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651441 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL10670419 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7314507 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL10649567 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL10654083 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL10652938 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7318037 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL10648568 0.79 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 2 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
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