SCHEMBL11062467

SCHEMBL11062467

O=C1CCc2cc(OCCCCC(=O)N(CCO)Cc3ccccc3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.63
MAOB P27338 16/20 0.63
PDE3B Q13370 3/20 0.61
PDE3A Q14432 3/20 0.61

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
SCHEMBL11071191 0.99 MAOA (0.62) MAOAMAOBPDE3BPDE3A
SCHEMBL11068004 0.97 MAOA (0.64) MAOAMAOBPDE3BPDE3A
SCHEMBL11061852 0.90 MAOA (0.52) MAOAMAOBPDE3BPDE3A
SCHEMBL11062764 0.89 MAOA (0.69) MAOAMAOBPDE3BPDE3A
SCHEMBL11061905 0.88 PDE3B (0.55) MAOAMAOBPDE3BPDE3A
SCHEMBL11063117 0.87 PDE3B (0.64) MAOAMAOBPDE3BPDE3A
SCHEMBL11067554 0.87 PDE3B (0.73) MAOAMAOBPDE3BPDE3A
SCHEMBL11063992 0.86 PDE3B (0.55) MAOAMAOBPDE3BPDE3A
SCHEMBL11067824 0.85 PDE3B (0.53) MAOAMAOBPDE3BPDE3A
SCHEMBL11068276 0.84 PDE3B (0.57) MAOAMAOBPDE3BPDE3A

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