SCHEMBL11888928

SCHEMBL11888928

COc1ccccc1S(=O)(=O)N1CCC(N)(C(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.53
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ GAA P10253 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ USP2 O75604 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11888873 0.86 PKM (0.54) PKMMAPTSMN1; SMN2POLBGAA
SCHEMBL11888909 0.84 LIPE (0.50) CYP2D6KMT2ACYP2C9
SCHEMBL11889004 0.83 CYP2D6 (0.48) SMN1; SMN2POLBALDH1A1CYP2D6KMT2A
SCHEMBL11888889 0.83 HDAC1 (0.49) SMN1; SMN2CYP2D6KMT2ACYP3A4CYP2C9
SCHEMBL11889050 0.81 FAAH (0.52) GAACYP2D6KMT2A
SCHEMBL11888832 0.80 PKM (0.51) PKMPOLBGAAALDH1A1CYP2D6
SCHEMBL1147363 0.79 LMNA (0.51) PKMMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL11888956 0.78 CYP2D6 (0.71) PKMSMN1; SMN2POLBGAAALDH1A1
SCHEMBL11888859 0.77 KMT2A (0.65) PKMMAPTPOLBALDH1A1CYP2D6
SCHEMBL11888998 0.76 PKM (0.63) PKMSMN1; SMN2POLBALDH1A1CYP2D6

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 6 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
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
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