SCHEMBL11068620

SCHEMBL11068620

CCN(CCO)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
SCHEMBL11063117 0.94 PDE3B (0.64) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11062394 0.92 PDE3B (0.62) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11068276 0.88 PDE3B (0.57) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11068004 0.86 MAOA (0.64) PDE3BPDE3AMAOAMAOB
SCHEMBL11069084 0.86 PDE3B (0.56) PDE3BPDE3AMAOAMAOBDRD2
SCHEMBL11062764 0.85 MAOA (0.69) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11095161 0.85 PDE3B (0.67) PDE3BPDE3AMAOAMAOB
SCHEMBL11067531 0.85 PDE3B (0.67) PDE3BPDE3AMAOAMAOB
SCHEMBL11061782 0.84 PDE3B (0.54) PDE3BPDE3AMAOAMAOBROCK2
SCHEMBL11071190 0.84 PDE3B (0.58) 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