SCHEMBL28396609

SCHEMBL28396609

Cc1ccc(S(=O)(=O)N2CCc3c(N4CCNCC4)cccc32)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.79
DRD3 P35462 8/20 0.60
DRD2 P14416 4/20 0.60
HRH3 Q9Y5N1 3/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB1 P08588 1/20 0.46

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
SCHEMBL14401502 0.88 HTR6 (1.00) HTR6DRD3DRD2HRH3
SCHEMBL28405325 0.88 HTR6 (0.79) HTR6DRD3DRD2HRH3MEN1
SCHEMBL28401574 0.88 HTR6 (0.79) HTR6DRD3DRD2HRH3MEN1
SCHEMBL28397927 0.88 HTR6 (0.79) HTR6DRD3DRD2HRH3
SCHEMBL13892351 0.84 HTR6 (0.90) HTR6DRD3DRD2HRH3
SCHEMBL28393831 0.81 HTR6 (0.76) HTR6DRD3DRD2HRH3
SCHEMBL28401494 0.81 HTR6 (0.76) HTR6DRD3DRD2HRH3
SCHEMBL28888877 0.81 HTR6 (0.76) HTR6DRD3DRD2HRH3
SCHEMBL1134887 0.80 HTR6 (0.52) HTR6DRD3MEN1KMT2A
SCHEMBL5960057 0.77 PDE4A (0.52) HTR6DRD3DRD2HRH3MEN1

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