SCHEMBL21590216

SCHEMBL21590216

CN1CCCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.74
DRD3 P35462 6/20 0.74
DRD1 P21728 5/20 0.74
DRD4 P21917 5/20 0.74
DRD5 P21918 5/20 0.74
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LSS P48449 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2A P28223 2/20 0.41

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
SCHEMBL7358180 0.85 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7347704 0.85 DRD2 (1.00) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21590356 0.83 DRD3 (0.62) DRD2DRD3DRD1DRD4DRD5
SCHEMBL28513880 0.82 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3128608 0.81 DRD2 (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9957718 0.80 DRD2 (0.60) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21590214 0.79 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22444698 0.78 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL13416035 0.77 ALDH1A1 (0.53) DRD2DRD3MEN1KMT2ALSS
SCHEMBL7667692 0.76 DRD2 (0.56) DRD2DRD3DRD1DRD4DRD5

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed