SCHEMBL12875144

SCHEMBL12875144

CN(C(=O)C1(C)CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(CC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 2/20 0.43
▸ PKM P14618 6/20 0.42
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL12875711 0.91 LIPE (0.43) LIPECNR2CNR1
SCHEMBL12875714 0.89 LIPE (0.42) LIPEPKMPLA2G1BATG4BCNR2
SCHEMBL12875690 0.83 CHRNB2 (0.50) LIPEPKMPLA2G1BATG4BCNR2
SCHEMBL12874924 0.81 MEN1 (0.45) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL12875713 0.80 LIPE (0.42) LIPECNR2CNR1
SCHEMBL12875146 0.77 MEN1 (0.43) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL1147320 0.74 LIPE (0.47) LIPECNR2CYP2C9CHRNB2CHRNB4
SCHEMBL12875143 0.73 CNR2 (0.49) LIPECNR2CNR1GAA
SCHEMBL15387727 0.69 LIPE (0.45) LIPECNR2CYP2C9CHRNB2CHRNB4
SCHEMBL11888832 0.68 PKM (0.51) PKMCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 — — WO disclosed
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