SCHEMBL17226506

SCHEMBL17226506

COc1ccc(N2CCN(CCC3CCC(NC(=O)C4=CCCC4)CC3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.66
DRD3 P35462 13/20 0.66
DRD4 P21917 1/20 0.49
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 2/20 0.47

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
SCHEMBL13630462 1.00 DRD2 (0.66) DRD2DRD3DRD4MAPTGFER
SCHEMBL13630263 0.90 DRD2 (0.69) DRD2DRD3DRD4HTR2A
SCHEMBL14346705 0.90 DRD2 (0.65) DRD2DRD3HTR2A
SCHEMBL13630327 0.90 DRD2 (0.65) DRD2DRD3HTR2A
SCHEMBL13630275 0.88 DRD3 (0.53) DRD2DRD3HTR2A
SCHEMBL17226486 0.88 DRD2 (0.66) DRD2DRD3HTR2A
SCHEMBL14347022 0.88 DRD3 (0.53) DRD2DRD3HTR2A
SCHEMBL13630343 0.88 DRD2 (0.66) DRD2DRD3HTR2A
SCHEMBL13630371 0.85 DRD2 (0.68) DRD2DRD3
SCHEMBL13629903 0.85 DRD2 (0.66) DRD2DRD3HTR2A

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
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed