SCHEMBL12875690

SCHEMBL12875690

CC1(C(=O)Nc2ccc(CC(F)(F)F)cc2)CCN(S(=O)(=O)c2ccccc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.50
▸ CHRNB4 P30926 4/20 0.50
▸ CHRNA3 P32297 4/20 0.50
▸ CHRNA4 P43681 4/20 0.50
▸ PKM P14618 3/20 0.45
▸ MAPT P10636 3/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ CNR2 P34972 4/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ CYP2C9 P11712 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12875143 0.90 CNR2 (0.49) LIPECNR2CNR1
SCHEMBL12875144 0.83 LIPE (0.43) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL12875714 0.82 LIPE (0.42) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL12875147 0.80 MEN1 (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1146852 0.78 MAPT (0.55) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL1146710 0.76 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL12085011 0.75 LIPE (0.58) PKMMAPTLIPEMEN1KMT2A
SCHEMBL12874915 0.75 EPHX2 (0.52) CYP2C9ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12874912 0.75 FAAH (0.48) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL12875711 0.74 LIPE (0.43) LIPECNR2CNR1SMN1; SMN2

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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