SCHEMBL10646995

SCHEMBL10646995

CN(C(=O)CCCOc1ccc2c(c1)CN(C(C(=O)O)c1ccccc1)C(N)=N2)C1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.70
PDE4B Q07343 17/20 0.70
PDE4C Q08493 17/20 0.70
PDE4D Q08499 17/20 0.70
BACE1 P56817 2/20 0.67
REN P00797 1/20 0.63
CTSD P07339 1/20 0.63
KCNH2 Q12809 1/20 0.63
PDE3B Q13370 1/20 0.63
PDE3A Q14432 1/20 0.63

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
SCHEMBL7307529 0.92 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10646574 0.90 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10653875 0.88 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10647105 0.88 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL10649452 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL10646753 0.87 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10649134 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10651610 0.85 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL10651792 0.83 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7307591 0.83 PDE4A (1.00) 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