SCHEMBL11062394

SCHEMBL11062394

CCN(CCOC)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.62
PDE3A Q14432 6/20 0.62
MAOA P21397 11/20 0.54
MAOB P27338 11/20 0.54
ROCK2 O75116 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL11068620 0.92 PDE3B (0.62) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11066234 0.86 PDE3B (0.68) PDE3BPDE3AMAOAMAOB
SCHEMBL11067615 0.85 PDE3B (0.67) PDE3BPDE3AMAOAMAOB
SCHEMBL11063117 0.85 PDE3B (0.64) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11061330 0.84 PDE3B (0.69) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11058585 0.84 MAOA (0.67) PDE3BPDE3AMAOAMAOB
SCHEMBL11067828 0.83 PDE3B (0.75) PDE3BPDE3A
SCHEMBL11061870 0.83 PDE3B (0.75) PDE3BPDE3A
SCHEMBL11068276 0.82 PDE3B (0.57) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11603017 0.81 PDE3B (0.63) PDE3BPDE3AMAOAMAOBHTR1A

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