SCHEMBL11064293

SCHEMBL11064293

COc1cc(CCN(CCO)C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
MAOA P21397 8/20 0.50
MAOB P27338 8/20 0.50
DRD2 P14416 8/20 0.41
DRD4 P21917 8/20 0.41
DRD3 P35462 8/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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 0.92 PDE3B (0.53) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11069084 0.90 PDE3B (0.56) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11066201 0.89 PDE3B (0.50) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11068986 0.87 PDE3B (0.51) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11063117 0.87 PDE3B (0.64) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11062764 0.86 MAOA (0.69) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11063999 0.86 PDE3B (0.54) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11062181 0.85 PDE3B (0.49) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11068094 0.85 MAOA (0.50) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11062708 0.84 PDE3B (0.51) PDE3BPDE3AMAOAMAOBDRD2

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