SCHEMBL7317857

SCHEMBL7317857

CNC(=O)CN1Cc2ccc(OCCCC(=O)NN3CCOCC3)cc2N=C1N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.49
PDE4B Q07343 17/20 0.49
PDE4C Q08493 17/20 0.49
PDE4D Q08499 17/20 0.49
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44

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
SCHEMBL7318662 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316947 0.87 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310801 0.85 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321093 0.85 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321538 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319543 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306779 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7308174 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320678 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7306174 0.78 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