SCHEMBL29655157

SCHEMBL29655157

CCCN(CC)Oc1cc(F)cc(S(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.34
▸ NR1H3 Q13133 4/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ EPAS1 Q99814 3/20 0.33
▸ PTGS1 P23219 3/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ KCNA5 P22460 1/20 0.30

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
SCHEMBL13731063 0.77 MAPT (0.47) —
SCHEMBL13730581 0.75 GBA1 (0.41) SLC6A4GBA1
SCHEMBL27823143 0.71 PTGS2 (0.44) NR1H2NR1H3EPAS1PTGS1PTGS2
SCHEMBL25405123 0.69 EPAS1 (0.37) NR1H2NR1H3SLC6A4EPAS1PTGS1
SCHEMBL776672 0.68 PTGS2 (0.45) PTGS1PTGS2
Mesdopetam SCHEMBL13732678 0.68 KAT6A (0.40) GBA1
Mesdopetam SCHEMBL29438806 0.68 KAT6A (0.40) GBA1
Mesdopetam SCHEMBL29438808 0.68 KAT6A (0.40) GBA1
SCHEMBL13730672 0.67 EPAS1 (0.38) NR1H2NR1H3SLC6A4EPAS1PTGS1
SCHEMBL13731260 0.67 CYP4F2 (0.37) NR1H2NR1H3EPAS1PTGS1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243801-A1 [2-(3-FLUORO-5-METHANESULFONYLPHENOXY)ETHYL](PROPYL)AMINE (MESDOPETAM) FOR USE IN THE PREVENTION OR REDUCTION OF SENSITIZATION TO A PHARMACEUTICAL DRUG FOR PARKINSON'S DISEASE, IN PARTICULAR L-DOPA INDUCED DYSKINESIAS Integrative Research Laboratories Sweden AB (SE) 2023-09-20 — — EP disclosed
WO-2022101227-A1 [2-(3-FLUORO-5-METHANESULFONYLPHENOXY)ETHYL](PROPYL)AMINE (MESDOPETAM) FOR USE IN THE PREVENTION OR REDUCTION OF SENSITIZATION TO A PHARMACEUTICAL DRUG FOR PARKINSON'S DISEASE, IN PARTICULAR L-DOPA INDUCED DYSKINESIAS INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2022-05-19 — — WO disclosed
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