SCHEMBL23318254

SCHEMBL23318254

CC(C)c1cccc([C@H]2CCCN(C)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.60
DRD2 P14416 6/20 0.60
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
DRD4 P21917 5/20 0.47
DRD1 P21728 3/20 0.47
DRD5 P21918 3/20 0.47
SIGMAR1 Q99720 3/20 0.46
NFKB1 P19838 1/20 0.46
PRCP P42785 1/20 0.46
EBP Q15125 1/20 0.46
LSS P48449 1/20 0.45

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
SCHEMBL23251067 0.91 DRD3 (0.49) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL13452526 0.89 DRD3 (0.58) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL24809401 0.84 DRD2 (0.40) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL15502380 0.81 QDPR (0.50) DRD3DRD2SLC6A2SLC6A3KCNH2
SCHEMBL12925934 0.81 SLC6A2 (0.55) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL7634263 0.81 HDAC4 (0.47) DRD3DRD2
SCHEMBL19122810 0.80 DRD3 (0.69) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL11888476 0.80 DRD3 (0.69) DRD3DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL5667630 0.79 KMO (0.49) DRD3DRD2
SCHEMBL24310013 0.79 DRD3 (0.70) DRD3DRD2DRD4DRD1DRD5

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
WO-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 WO disclosed