SCHEMBL7316910

SCHEMBL7316910

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
ADRA1A P35348 1/20 0.32
GAA P10253 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
NTSR1 P30989 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NFKB1 P19838 1/20 0.31
PSMB5 P28074 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL7312619 0.89 PDE3B (0.33) PDE3BPDE3ADRD2DRD3ADRA1A
SCHEMBL7316904 0.77 PDE3B (0.38) PDE3BPDE3AGAASMN1; SMN2ALDH1A1
SCHEMBL7320607 0.75 PDE4A (0.42) PDE3BPDE3A
SCHEMBL7319837 0.72 PDE3B (0.37) PDE3BPDE3AGAASMN1; SMN2ALDH1A1
SCHEMBL7317240 0.70 PDE3B (0.36) PDE3BPDE3AGAASMN1; SMN2ALDH1A1
SCHEMBL7317932 0.70 PDE3B (0.35) PDE3BPDE3AGAAALDH1A1KMT2A
SCHEMBL7320036 0.69 LMNA (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL7312612 0.69 PDE4A (0.39) PDE3BPDE3AGAASMN1; SMN2ALDH1A1
SCHEMBL7318846 0.66 PDE3B (0.41) PDE3BPDE3A
SCHEMBL7318346 0.64 PDE4A (0.51) PDE3BPDE3A

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