SCHEMBL11061771

SCHEMBL11061771

O=C1CCc2cc(OCCCC(=O)N(CC(O)CO)c3ccccc3)ccc2N1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.81
PDE3A Q14432 3/20 0.81
MAOA P21397 11/20 0.54
MAOB P27338 11/20 0.54
DRD2 P14416 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR7 P34969 2/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
KDM1A O60341 1/20 0.42
KCNH2 Q12809 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL11067324 0.87 PDE3B (0.84) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11064324 0.87 PDE3B (0.69) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11067644 0.86 PDE3B (0.68) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11067554 0.84 PDE3B (0.73) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11327684 0.83 PDE3B (0.66) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11061330 0.83 PDE3B (0.69) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11319861 0.82 PDE3B (0.67) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11068183 0.80 PDE3B (0.70) PDE3BPDE3A
SCHEMBL11064549 0.80 MAOA (0.62) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11065691 0.79 PDE3B (0.71) 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