SCHEMBL7320216

SCHEMBL7320216

O=C(Cc1ccccc1)NC1=Nc2cccc(OCCCC(=O)NN3CCCC4CCCCC43)c2CN1CC(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7314469 0.92 PDE4A (0.33) HSD11B1PDE4APDE4BPDE4CPDE4D
SCHEMBL7310359 0.91 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307123 0.91 PDE4A (0.34) HSD11B1PDE4APDE4BPDE4CPDE4D
SCHEMBL7319752 0.89 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647737 0.78 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310341 0.74 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317927 0.70 PDE3B (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310398 0.69 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314807 0.69 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647235 0.69 PDE4A (0.41) 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