SCHEMBL7320570

SCHEMBL7320570

CCNC(=O)NC1=Nc2cc(OCCCC(=O)NN3CCOCC3)ccc2CN1CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
AVPR1B P47901 2/20 0.36
LIPE Q05469 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7321093 0.92 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7320678 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7316580 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7318948 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7316981 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318662 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7316041 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7316947 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7310210 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321538 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMAPT

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