SCHEMBL3394937

SCHEMBL3394937

NCCc1cn(S(=O)(=O)c2ccc3c(c2)OCC3)c2cccnc12.NCCc1cn(S(=O)(=O)c2cccc3c2OCC3)c2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.38
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CHRM5 P08912 1/20 0.34
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
NAMPT P43490 1/20 0.33
USP9X Q93008 1/20 0.33
AKR1C3 P42330 1/20 0.32

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
SCHEMBL3204590 0.92 HTR6 (0.43) HTR6PPARGPPARDPPARACHRM5
SCHEMBL3216028 0.91 HTR6 (0.42) HTR6AKT1PIK3CAMTORNAMPT
SCHEMBL3394942 0.85 HTR6 (0.33) HTR6PPARGPPARDPPARACHRM5
SCHEMBL3208578 0.84 PPARG (0.46) HTR6PPARGPPARDPPARACHRM5
SCHEMBL3212422 0.81 HTR6 (0.46) HTR6PPARGPPARDPPARA
SCHEMBL3193049 0.81 HTR6 (0.44) HTR6PPARGPPARDPPARACHRM5
SCHEMBL3203444 0.80 HTR6 (0.42) HTR6
SCHEMBL3205282 0.80 HTR6 (0.41) HTR6PPARGPPARDPPARACHRM5
SCHEMBL3200614 0.80 HTR6 (0.41) HTR6AKT1PIK3CAMTORNAMPT
SCHEMBL3214156 0.80 HTR6 (0.41) HTR6

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-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO claimed