SCHEMBL3848601

SCHEMBL3848601

CC(CO)Cc1cccc(N2CCN(CCC3CCC4(CC3)OCCO4)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
DRD3 P35462 7/20 0.40
VCP P55072 1/20 0.40
HTR7 P34969 3/20 0.38
SIGMAR1 Q99720 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL3846469 0.87 HTR7 (0.45) DRD2DRD3HTR7SIGMAR1SLC6A2
SCHEMBL3844666 0.86 DRD2 (0.40) DRD2DRD3VCPHTR7SIGMAR1
SCHEMBL3844664 0.82 AGXT (0.42) DRD2DRD3HTR7SLC6A2SLC6A4
SCHEMBL3845294 0.82 DRD2 (0.43) DRD2DRD3VCPHTR7
SCHEMBL3848596 0.82 DRD2 (0.42) DRD2DRD3VCPHTR7SLC6A2
SCHEMBL3844657 0.80 DRD2 (0.45) DRD2DRD3VCPHTR7
SCHEMBL3844088 0.80 ADRA2C (0.45) DRD2DRD3HTR7
SCHEMBL3845098 0.79 DRD2 (0.48) DRD2DRD3HTR7SIGMAR1
SCHEMBL3849898 0.79 DRD2 (0.58) DRD2DRD3HTR7SIGMAR1
SCHEMBL3848584 0.79 DRD2 (0.41) DRD2DRD3VCPHTR7

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