SCHEMBL11889003

SCHEMBL11889003

O=C(O)C1(O)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NR3C1 P04150 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GBA1 P04062 1/20 0.47
DCTPP1 Q9H773 1/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11888859 0.86 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11889043 0.82 PKM (0.52) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL11888958 0.81 FAAH (0.53) KMT2AHTTCYP2D6GAA
SCHEMBL11889042 0.80 CYP2D6 (0.49) KMT2AMEN1ALDH1A1L3MBTL1CYP2D6
SCHEMBL11888911 0.80 HDAC3 (0.50) KMT2ADCTPP1CYP2D6SMN1; SMN2
SCHEMBL31684031 0.78 KMT2A (0.87) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL24754516 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL29783799 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL1146846 0.77 KMT2A (0.50) KMT2AMEN1MAPTL3MBTL1PKM
SCHEMBL27596864 0.77 KMT2A (0.84) KMT2AMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471265-B Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2014-09-03 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 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
CN-102471265-B Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2014-09-03 CN disclosed
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