SCHEMBL7310210

SCHEMBL7310210

CCNC(=O)NC1=Nc2cc(OCCCC(=O)NN3CCCCC3)ccc2CN1CC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.45
PDE4B Q07343 8/20 0.45
PDE4C Q08493 8/20 0.45
PDE4D Q08499 8/20 0.45
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CCKBR P32239 2/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
MET P08581 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7311023 0.91 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7312716 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7314040 0.90 LMNA (0.41) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7307091 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7316981 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7317319 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310209 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DITGB3
SCHEMBL7316041 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7320570 0.82 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318905 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1

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