SCHEMBL23722393

SCHEMBL23722393

CC(C)(C)C(C)(C)C(=O)OCOc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.61
DRD2 P14416 18/20 0.55
HTR2A P28223 12/20 0.55
HTR1A P08908 10/20 0.55
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1055020 0.94 DRD3 (0.63) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL23721086 0.92 DRD3 (0.60) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL12930991 0.92 DRD3 (0.60) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL22267820 0.91 DRD3 (0.59) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL12930979 0.90 DRD3 (0.66) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL18388442 0.90 DRD3 (0.58) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL12930981 0.89 DRD3 (0.65) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL1057074 0.89 DRD3 (0.56) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL12931011 0.88 DRD3 (0.64) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL12930989 0.88 DRD3 (0.64) DRD3DRD2HTR2AHTR1ADRD1

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-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed