SCHEMBL28401291

SCHEMBL28401291

O=S(=O)(c1ccccc1F)N1CCc2c(N3CCNCC3)cccc21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.70
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL28399758 0.85 HTR6 (0.70) HTR6DRD2DRD3HRH3
SCHEMBL28398380 0.84 HTR6 (0.68) HTR6DRD2DRD3HRH3
SCHEMBL14401502 0.82 HTR6 (1.00) HTR6DRD2DRD3HRH3
SCHEMBL28401574 0.81 HTR6 (0.79) HTR6DRD2DRD3HRH3
SCHEMBL5200624 0.81 HTR6 (0.72) HTR6DRD3
SCHEMBL1136439 0.80 HTR6 (1.00) HTR6
SCHEMBL28393831 0.80 HTR6 (0.76) HTR6DRD2DRD3HRH3
SCHEMBL13892351 0.78 HTR6 (0.90) HTR6DRD2DRD3HRH3
SCHEMBL28400042 0.78 HTR6 (0.71) HTR6DRD2DRD3HRH3
SCHEMBL28397927 0.77 HTR6 (0.79) HTR6DRD2DRD3HRH3

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
CN-105367472-B Indoline derivative and application thereof in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed