SCHEMBL11062085

SCHEMBL11062085

O=C1CCc2cc(OCCCC(=O)N(CCOC(=O)c3ccccc3)C3CCCC(O)C3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.57
PDE3A Q14432 15/20 0.57
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 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
SCHEMBL11068044 0.92 PDE3B (0.66) PDE3BPDE3AMAOAMAOB
SCHEMBL11062815 0.90 PDE3B (0.62) PDE3BPDE3AMAOAMAOB
SCHEMBL11067917 0.87 PDE3B (0.65) PDE3BPDE3AMAOAMAOB
SCHEMBL11071572 0.87 PDE3B (0.65) PDE3BPDE3AMAOAMAOB
SCHEMBL11065398 0.87 PDE3B (0.63) PDE3BPDE3AMAOAMAOB
SCHEMBL11065345 0.87 PDE3B (0.60) PDE3BPDE3AMAOAMAOB
SCHEMBL11062100 0.86 PDE3B (0.56) PDE3BPDE3AMAOAMAOB
SCHEMBL11071205 0.85 PDE3B (0.62) PDE3BPDE3AMAOAMAOB
SCHEMBL11067728 0.85 PDE3B (0.61) PDE3BPDE3AMAOAMAOB
SCHEMBL11316371 0.84 PDE3B (0.63) PDE3BPDE3AMAOAMAOB

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