SCHEMBL17090085

SCHEMBL17090085

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2cccc(OCC#N)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
BRD4 O60885 2/20 0.36
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 1/20 0.34
CRHR1 P34998 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH2 P05091 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL13565765 1.00 F10 (0.36) F10BRD4HSD17B10HTTMEN1
SCHEMBL13565132 0.88 NR1H4 (0.40) F10BRD4MEN1NPC1MAPT
SCHEMBL13565482 0.88 HDAC4 (0.41) F10BRD4HSD17B10HTTMEN1
SCHEMBL17090309 0.88 HDAC4 (0.41) F10BRD4HSD17B10HTTMEN1
SCHEMBL17090000 0.88 NR1H4 (0.40) F10BRD4MEN1NPC1MAPT
SCHEMBL13564825 0.86 GRIA2 (0.38) F10BRD4HSD17B10HTTMEN1
SCHEMBL13565615 0.86 F10 (0.37) F10BRD4MEN1NPC1MAPT
SCHEMBL17090308 0.86 F10 (0.37) F10BRD4MEN1NPC1MAPT
SCHEMBL11936203 0.85 CNR2 (0.39) F10HTTMEN1MAPTKMT2A
SCHEMBL17090307 0.85 THRB (0.42) F10HTTMEN1NPC1MAPT

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed