SCHEMBL7318255

SCHEMBL7318255

CCN(C)C(=O)NN1CN(CC(=O)OC(C)C)Cc2c(OCCCC(=O)N(C3CCCCC3)C3CCCCC3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.39
PDE4B Q07343 11/20 0.39
PDE4C Q08493 11/20 0.39
PDE4D Q08499 11/20 0.39
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
HTR2A P28223 2/20 0.34
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL7319375 0.85 PDE3B (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318846 0.78 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319893 0.77 PDE3B (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319315 0.76 PDE3B (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7305463 0.72 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311520 0.72 PDE3B (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317800 0.71 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309558 0.71 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316932 0.69 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310677 0.69 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed