SCHEMBL13565366

SCHEMBL13565366

CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KIF11 P52732 2/20 0.42
CSF1R P07333 2/20 0.41
KIT P10721 1/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK10 P53779 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL11936003 0.85 RAB9A (0.46) PPARARAB9ANPC1GAAMEN1
SCHEMBL13565993 0.84 PPARA (0.55) PPARAKIF11ALDH1A1
SCHEMBL11936113 0.80 PPARA (0.56) PPARAMEN1KMT2AKIF11ALDH1A1
SCHEMBL10116692 0.79 PTGS1 (0.60) PPARARAB9ANPC1GAA
SCHEMBL13565070 0.78 PPARA (0.50) PPARAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13565690 0.76 PPARA (0.46) PPARAGAAMEN1MAPTKMT2A
SCHEMBL17090482 0.76 ADRB2 (0.41) PPARARAB9ANPC1MEN1MAPT
SCHEMBL11936144 0.75 PPARA (0.43) PPARAPTGS2
SCHEMBL13565306 0.75 CA1 (0.62) EPHX2
SCHEMBL11936125 0.74 PTGS1 (0.56) RAB9ANPC1GAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed