SCHEMBL11067969

SCHEMBL11067969

CCCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.59
PDE3A Q14432 5/20 0.59
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP19A1 P11511 3/20 0.47
MAOA P21397 8/20 0.46
MAOB P27338 8/20 0.46
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TBXAS1 P24557 1/20 0.42
ROCK2 O75116 1/20 0.40

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
SCHEMBL11071155 0.92 PDE3B (0.61) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL11067790 0.91 PDE3B (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL11067644 0.81 PDE3B (0.68) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11061330 0.81 PDE3B (0.69) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11064324 0.80 PDE3B (0.69) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11066048 0.80 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL11071181 0.79 PDE3B (0.55) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL11067554 0.78 PDE3B (0.73) PDE3BPDE3AMAOAMAOBHTR1A
SCHEMBL11061852 0.77 MAOA (0.52) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL11319861 0.77 PDE3B (0.67) 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