SCHEMBL28644153

SCHEMBL28644153

CCCCS(=O)(=O)c1cccc(C2CCN(CCC)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.73
SIGMAR1 Q99720 1/20 0.73
DRD3 P35462 8/20 0.56
HTR6 P50406 1/20 0.52
SLC6A4 P31645 1/20 0.51
HTR1A P08908 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48

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
SCHEMBL29354894 0.96 DRD2 (0.75) DRD2SIGMAR1DRD3HTR6SLC6A4
SCHEMBL17364137 0.96 DRD2 (0.75) DRD2SIGMAR1DRD3HTR6SLC6A4
SCHEMBL17368147 0.91 DRD2 (0.67) DRD2SIGMAR1DRD3HTR6SLC6A4
SCHEMBL17366554 0.89 DRD2 (0.65) DRD2SIGMAR1DRD3HTR6SLC6A4
SCHEMBL25690904 0.87 DRD2 (0.62) DRD2SIGMAR1DRD3HTR6SLC6A4
SCHEMBL17366553 0.86 DRD2 (0.61) DRD2SIGMAR1DRD3HTR6SLC6A4
Pridopidine SCHEMBL166748 0.85 DRD2 (1.00) DRD2SIGMAR1DRD3HTR6SLC6A4
Pridopidine SCHEMBL29664816 0.85 DRD2 (1.00) DRD2SIGMAR1DRD3HTR6SLC6A4
Pridopidine SCHEMBL15007479 0.84 DRD2 (0.97) DRD2SIGMAR1DRD3HTR6SLC6A4
Pridopidine SCHEMBL2370301 0.84 DRD2 (0.97) DRD2SIGMAR1DRD3HTR6SLC6A4

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
CN-113511997-A Pridopidine analogues, their preparation and use 普丽莱尼亚神经治疗有限公司 2021-10-19 CN disclosed
CN-113511997-A Pridopidine analogues, their preparation and use 普丽莱尼亚神经治疗有限公司 2021-10-19 CN disclosed