SCHEMBL11069157

SCHEMBL11069157

COc1ccc(CCN(CCOC(=O)c2ccccc2)C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.51
MAOB P27338 6/20 0.51
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
DRD2 P14416 5/20 0.42
DRD4 P21917 5/20 0.42
DRD3 P35462 5/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38

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
SCHEMBL11067769 0.90 PDE3B (0.51) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11313386 0.89 MAOA (0.57) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11066130 0.88 PDE3B (0.53) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11068986 0.86 PDE3B (0.51) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11316325 0.86 PDE3B (0.51) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11066201 0.85 PDE3B (0.50) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11063992 0.83 PDE3B (0.55) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11071491 0.83 PDE3B (0.51) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11062181 0.82 PDE3B (0.49) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11068094 0.81 MAOA (0.50) MAOAMAOBPDE3BPDE3ADRD2

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