SCHEMBL3849039

SCHEMBL3849039

CC(O)c1cccc(N2CCN(CCC3CCN(C(=O)O)CC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.49
DRD3 P35462 9/20 0.49
NOTUM Q6P988 1/20 0.45
CHRM3 P20309 1/20 0.44
VCP P55072 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL4492729 0.87 GPR119 (0.55) DRD2DRD3VCP
SCHEMBL3848514 0.86 DRD2 (0.48) DRD2DRD3NOTUMVCPHTR1A
SCHEMBL3853616 0.84 DRD2 (0.48) DRD2DRD3VCPHTR1A
SCHEMBL3844622 0.83 DRD2 (0.49) DRD2DRD3
SCHEMBL3869228 0.80 GPR119 (0.54) DRD2DRD3VCP
SCHEMBL4500313 0.80 CHRM4 (0.58) DRD2DRD3NOTUM
SCHEMBL3850345 0.79 DRD2 (0.47) DRD2DRD3NOTUMVCPHTR1A
SCHEMBL3845294 0.79 DRD2 (0.43) DRD2DRD3VCP
SCHEMBL3849026 0.79 NOTUM (0.50) DRD2DRD3NOTUMVCPHTR1A
SCHEMBL14346696 0.79 DRD2 (0.57) DRD2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO disclosed