SCHEMBL7312619

SCHEMBL7312619

CCC(=O)NN1CN(CC(=O)OCC(C)(C)C)Cc2c(OCCCC(=O)N(C)c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 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
SCHEMBL7316910 0.89 PDE3B (0.33) PDE3BPDE3AALDH1A1GAASMN1; SMN2
SCHEMBL7312612 0.78 PDE4A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318346 0.73 PDE4A (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7319810 0.72 PDE4A (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7318846 0.71 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7313246 0.70 PDE4A (0.37) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7316904 0.68 PDE3B (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320036 0.68 LMNA (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7319893 0.67 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7320607 0.66 PDE4A (0.42) PDE3BPDE3APDE4APDE4BPDE4C

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