SCHEMBL7319183

SCHEMBL7319183

CN(C)c1ccccc1OC(=O)CN1Cc2ccc(OCCCC(=O)NN3CCc4ccccc43)cc2N=C1NC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.37
PDE4B Q07343 10/20 0.37
PDE4C Q08493 10/20 0.37
PDE4D Q08499 10/20 0.37
LCK P06239 1/20 0.33
NOTUM Q6P988 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CARM1 Q86X55 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAOB P27338 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
SCHEMBL7311541 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL7311518 0.90 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311440 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7319179 0.85 LCK (0.36) PDE4APDE4BPDE4CPDE4DLCK
SCHEMBL7351296 0.85 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DLCK
SCHEMBL7351300 0.77 LCK (0.36) PDE4APDE4BPDE4CPDE4DLCK
SCHEMBL7311511 0.76 ALDH1A1 (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311535 0.76 MAPT (0.37) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7312716 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DITGB3
SCHEMBL7317727 0.75 ALDH1A1 (0.37) 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