SCHEMBL7317847

SCHEMBL7317847

CNC(=O)CN1Cc2ccc(OCCC(C(N)=O)C3CNCCO3)cc2N=C1N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.38
PDE4B Q07343 20/20 0.38
PDE4C Q08493 20/20 0.38
PDE4D Q08499 20/20 0.38

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
SCHEMBL7318649 0.92 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316937 0.91 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321533 0.88 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321092 0.88 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320666 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320563 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316575 0.80 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL10374505 0.73 PDE3B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7317857 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307768 0.72 PDE3B (0.51) 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