SCHEMBL7306174

SCHEMBL7306174

NC1=Nc2cc(OCCCC(=O)NN3CCCCC3)ccc2CN1CC(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.49
PDE4B Q07343 18/20 0.49
PDE4C Q08493 18/20 0.49
PDE4D Q08499 18/20 0.49
KDM1A O60341 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7317319 0.88 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316526 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL7314040 0.86 LMNA (0.41) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL7315023 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL7318905 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL7306170 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7319543 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306779 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL10649542 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7317857 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