SCHEMBL28401574

SCHEMBL28401574

O=S(=O)(c1ccc(F)cc1)N1CCc2c(N3CCNCC3)cccc21

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.79
DRD3 P35462 7/20 0.57
DRD2 P14416 4/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 2/20 0.54
HTR7 P34969 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL28393831 0.88 HTR6 (0.76) HTR6DRD3DRD2HRH3HTR7
SCHEMBL28396609 0.88 HTR6 (0.79) HTR6DRD3DRD2MEN1KMT2A
SCHEMBL28405325 0.88 HTR6 (0.79) HTR6DRD3DRD2MEN1KMT2A
SCHEMBL28397927 0.88 HTR6 (0.79) HTR6DRD3DRD2HRH3
SCHEMBL13892351 0.84 HTR6 (0.90) HTR6DRD3DRD2HRH3
SCHEMBL28401291 0.81 HTR6 (0.70) HTR6DRD3DRD2HRH3
SCHEMBL5200670 0.81 HTR6 (0.66) HTR6DRD3DRD2MEN1KMT2A
SCHEMBL28888877 0.81 HTR6 (0.76) HTR6DRD3DRD2HRH3
SCHEMBL28401494 0.81 HTR6 (0.76) HTR6DRD3DRD2HRH3

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