SCHEMBL11071491

SCHEMBL11071491

COc1ccc(CCN(CC(O)CO)C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
MAOB P27338 7/20 0.47
MAOA P21397 6/20 0.47
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 6/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
LMNA P02545 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL11066130 0.90 PDE3B (0.53) PDE3BPDE3AMAOBMAOAALDH1A1
SCHEMBL11068986 0.88 PDE3B (0.51) PDE3BPDE3AMAOBMAOAALDH1A1
SCHEMBL11066201 0.87 PDE3B (0.50) PDE3BPDE3AMAOBMAOADRD2
SCHEMBL11316325 0.86 PDE3B (0.51) PDE3BPDE3AMAOBMAOAALDH1A1
SCHEMBL11067769 0.86 PDE3B (0.51) PDE3BPDE3AMAOBMAOAALDH1A1
SCHEMBL11313386 0.86 MAOA (0.57) PDE3BPDE3AMAOBMAOADRD2
SCHEMBL11063999 0.84 PDE3B (0.54) PDE3BPDE3AMAOBMAOADRD2
SCHEMBL11062181 0.83 PDE3B (0.49) PDE3BPDE3AMAOBMAOAALDH1A1
SCHEMBL11068094 0.83 MAOA (0.50) PDE3BPDE3AMAOBMAOADRD2
SCHEMBL11069157 0.83 MAOA (0.51) PDE3BPDE3AMAOBMAOAMAPT

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed