SCHEMBL7307657

SCHEMBL7307657

CCOC(=O)NC1=Nc2cc(OCCC(C(N)=O)N3CCCc4ccccc43)ccc2CN1CC(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
NR1I3 Q14994 7/20 0.35
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7310878 0.93 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7307197 0.92 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7310780 0.88 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307653 0.80 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312710 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310459 0.78 PDE4A (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319179 0.78 LCK (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7351300 0.75 LCK (0.36) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7311535 0.75 MAPT (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7318898 0.75 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DLMNA

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