SCHEMBL27854681

SCHEMBL27854681

C=CC(c1ccc(C)cc1)S(=O)(=O)N1CCC(O)(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.39
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ USP2 O75604 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL27856478 0.87 CYP2C19 (0.39) CYP2C19OPRM1OPRD1OPRK1OPRL1
SCHEMBL27871318 0.87 CYP2C19 (0.39) CYP2C19OPRM1OPRD1OPRK1OPRL1
SCHEMBL27854680 0.87 CYP2C19 (0.39) CYP2C19OPRM1OPRD1OPRK1OPRL1
SCHEMBL27856508 0.85 CYP2C19 (0.37) CYP2C19USP2KDM4ECYP2D6ALDH1A1
SCHEMBL27856475 0.79 USP2 (0.54) CYP2C19USP2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27854683 0.76 KMT2A (0.40) CYP2C19OPRM1OPRD1OPRK1OPRL1
SCHEMBL27821081 0.76 ADRA1D (0.47) CYP2C19OPRM1OPRD1MEN1KMT2A
SCHEMBL27691091 0.74 PKM (0.33) CYP2C19ALDH1A1LMNAHTTPKM
SCHEMBL11888884 0.73 CYP2C19 (0.67) CYP2C19KDM4ECYP2D6ALDH1A1LMNA
SCHEMBL27721481 0.71 TSHR (0.38) CYP2C19USP2ALDH1A1LMNAHTT

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 4 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
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
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
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