SCHEMBL7307123

SCHEMBL7307123

O=C(CCCOc1cccc2c1CN(CC(=O)OCc1ccccc1)C(NC(=O)N(Cc1ccccc1)Cc1ccccc1)=N2)NN1CCCC2CCCCC21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
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
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
HSD11B1 P28845 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
SCHEMBL7320216 0.91 HSD11B1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314469 0.90 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310359 0.89 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319752 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647737 0.76 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310341 0.72 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319736 0.71 PDE3B (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317240 0.70 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314675 0.69 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310398 0.69 PDE4A (0.45) 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