SCHEMBL12875713

SCHEMBL12875713

CCN(C(=O)C1(C)CCN(S(=O)(=O)c2ccccc2C)CC1)c1ccc(CC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 2/20 0.42
▸ DCTPP1 Q9H773 4/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL12875714 0.92 LIPE (0.42) LIPECNR1CNR2
SCHEMBL12875711 0.89 LIPE (0.43) LIPEDCTPP1HDAC3HDAC1HDAC2
SCHEMBL12875143 0.81 CNR2 (0.49) LIPEDCTPP1HDAC3HDAC1HDAC2
SCHEMBL12875144 0.80 LIPE (0.43) LIPECNR1CNR2
SCHEMBL1147348 0.78 LIPE (0.45) LIPEEPHX2MAPT
SCHEMBL12875690 0.73 CHRNB2 (0.50) LIPECNR1CNR2MAPT
SCHEMBL15387585 0.72 LIPE (0.43) LIPEHDAC3HDAC1HDAC2HDAC6
SCHEMBL1146713 0.69 LIPE (0.45) LIPECNR2MAPT
SCHEMBL1147336 0.68 LIPE (0.46) LIPEEPHX2CCR1CNR2
SCHEMBL11888889 0.66 HDAC1 (0.49) DCTPP1HDAC3HDAC1HDAC2HDAC6

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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