SCHEMBL11889043

SCHEMBL11889043

O=C(O)C1(O)CCN(S(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.52
POLB P06746 1/20 0.52
CHRNB2 P17787 3/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CHRNA4 P43681 3/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GPR183 P32249 1/20 0.48
MEN1 O00255 1/20 0.48
EPHX2 P34913 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 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
SCHEMBL11888832 0.84 PKM (0.51) PKMPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL11888958 0.84 FAAH (0.53) KMT2ACYP2D6MAPK1GAA
SCHEMBL11888961 0.83 NPC1 (0.49) PKMCYP2D6ALDH1A1
SCHEMBL11888912 0.83 NPC1 (0.62) PKMPOLBKMT2A
SCHEMBL11889042 0.83 CYP2D6 (0.49) POLBKMT2AL3MBTL1CYP2D6ALDH1A1
SCHEMBL11888911 0.83 HDAC3 (0.50) KMT2ACYP2D6EPHX2
SCHEMBL11889003 0.82 KMT2A (0.67) PKMKMT2AL3MBTL1CYP2D6ALDH1A1
SCHEMBL11888826 0.81 ALDH1A1 (0.62) POLBKMT2AL3MBTL1ALDH1A1GPR183
SCHEMBL11888873 0.80 PKM (0.54) PKMPOLBKMT2ACYP2D6ALDH1A1
SCHEMBL29060784 0.78 PKM (0.66) PKMPOLBCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US claimed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
CN-102471265-A Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2012-05-23 CN claimed
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102471265-A Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2012-05-23 CN disclosed