SCHEMBL11068094

SCHEMBL11068094

COc1ccc(CCN(CCO)C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
DRD2 P14416 12/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 5/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL11066130 0.93 PDE3B (0.53) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11066201 0.91 PDE3B (0.50) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11068986 0.89 PDE3B (0.51) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11062181 0.87 PDE3B (0.49) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11063999 0.86 PDE3B (0.54) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11064293 0.85 PDE3B (0.53) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11067769 0.85 PDE3B (0.51) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11069084 0.84 PDE3B (0.56) MAOAMAOBDRD2DRD4DRD3
SCHEMBL11063084 0.83 MAPT (0.41)
SCHEMBL11071318 0.83 MAPT (0.41) DRD2DRD4DRD3

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