SCHEMBL13565337

SCHEMBL13565337

CC(C)S(=O)(=O)Nc1ccc(CNc2cc(F)c(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
ADRA2A P08913 1/20 0.39
HIF1A Q16665 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KIF11 P52732 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR1 O14842 1/20 0.34
BRD4 O60885 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
BRPF1 P55201 1/20 0.34

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
SCHEMBL17090293 0.86 KIF11 (0.48) PPARAADRA2AHIF1AKIF11FFAR1
SCHEMBL13565078 0.84 MAPT (0.45) PPARAHIF1ACA1CA2CA12
SCHEMBL13565602 0.84 SLC22A12 (0.44) PPARAKIF11
SCHEMBL13566041 0.84 CA1 (0.39) PPARAADRA2ACA1CA2KIF11
SCHEMBL11936106 0.83 PPARA (0.43) PPARAHIF1ACA1CA2CA12
SCHEMBL13565693 0.82 MAPT (0.42) PPARAHIF1ACA1CA2CA12
SCHEMBL13565993 0.82 PPARA (0.55) PPARAADRA2ACA1CA2KIF11
SCHEMBL13565065 0.80 KDM4E (0.44) HIF1ACA1CA2CA12CA9
SCHEMBL13565690 0.79 PPARA (0.46) PPARAFFAR1
SCHEMBL11936067 0.79 CA1 (0.45) HIF1ACA1CA2CA12CA9

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