SCHEMBL11888909

SCHEMBL11888909

NC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 6/20 0.50
▸ CHRM1 P11229 1/20 0.47
▸ CYP2D6 P10635 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ SPR P35270 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ CCR1 P32246 1/20 0.39

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
SCHEMBL11888928 0.84 PKM (0.53) CYP2D6KMT2ACYP2C9
SCHEMBL11888859 0.81 KMT2A (0.65) CYP2D6KMT2AMEN1
SCHEMBL1147128 0.80 MAPT (0.44) LIPECHRM1KDM2BRORC
SCHEMBL11888832 0.80 PKM (0.51) CYP2D6KMT2AMEN1
SCHEMBL11889050 0.78 FAAH (0.52) CYP2D6KMT2ACCR1
SCHEMBL24754403 0.78 CHRM1 (0.53) LIPECHRM1KMT2AAKR1C3MMP2
SCHEMBL29784737 0.78 CHRM1 (0.53) LIPECHRM1KMT2AAKR1C3MMP2
SCHEMBL11888860 0.78 KMT2A (0.58) LIPECYP2D6KMT2AMEN1MMP13
SCHEMBL28663136 0.78 TSHR (0.62) LIPECHRM1KDM2BKMT2AMEN1
SCHEMBL31684033 0.78 TSHR (0.62) LIPECHRM1KDM2BKMT2AMEN1

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
Send feedback