SCHEMBL21590214

SCHEMBL21590214

CN1CCCC(c2ccccc2OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.76
DRD1 P21728 9/20 0.76
DRD4 P21917 9/20 0.76
DRD5 P21918 9/20 0.76
DRD3 P35462 9/20 0.76
HTR2A P28223 2/20 0.46
PRMT5 O14744 1/20 0.40

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
SCHEMBL7352405 0.86 DRD2 (1.00) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21590355 0.85 DRD2 (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4096013 0.83 DRD2 (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9956909 0.82 DRD2 (0.62) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16520806 0.81 DRD2 (0.63) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22444937 0.80 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL28513880 0.79 DRD2 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2278508 0.79 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21590216 0.79 DRD2 (0.74) DRD2DRD1DRD4DRD5DRD3
SCHEMBL12852526 0.77 HTR2A (0.56) DRD2HTR2A

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