SCHEMBL7314469

SCHEMBL7314469

O=C(CCCOc1cccc2c1CN(CC(=O)OCc1ccccc1)C(NC(=O)Nc1ccccc1)=N2)NN1CCCC2CCCCC21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCKBR P32239 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HSD11B1 P28845 1/20 0.32
FKBP1A P62942 1/20 0.32
PPIA P62937 2/20 0.32
NAMPT P43490 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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 0.92 HSD11B1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310359 0.90 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307123 0.90 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319752 0.88 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647737 0.77 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310341 0.73 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314807 0.71 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310398 0.68 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316720 0.68 PDE3B (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10647235 0.68 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