SCHEMBL10648264

SCHEMBL10648264

CC(C)COC(=O)CN1Cc2cccc(OCCCCCC(=O)NC3CCC4CCCCC4N3)c2N=C1N

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.37
PDE4B Q07343 17/20 0.37
PDE4C Q08493 17/20 0.37
PDE4D Q08499 17/20 0.37
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32

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
SCHEMBL10650514 0.90 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL10648259 0.85 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL10650509 0.74 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7316546 0.73 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316932 0.71 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL10672078 0.71 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL10646411 0.71 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL10672070 0.69 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL10665392 0.69 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL7314492 0.69 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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