SCHEMBL17226502

SCHEMBL17226502

C#[SH](C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(CC)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.56
DRD3 P35462 12/20 0.56
HTR2A P28223 2/20 0.50
HTR1A P08908 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL13630110 0.86 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4481761 0.86 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13630270 0.85 DRD3 (0.61) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4489914 0.85 DRD3 (0.61) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13629995 0.85 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13630453 0.85 DRD2 (0.58) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4487373 0.85 DRD2 (0.58) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4488376 0.85 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13630175 0.85 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13630111 0.84 DRD3 (0.54) DRD2DRD3HTR2AHTR1ADRD1

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