SCHEMBL17090223

SCHEMBL17090223

C[C@@H]1C[C@H](C)CN(c2ccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 8/20 0.40
ALOX12 P18054 8/20 0.40
ALOX15 P16050 7/20 0.40
KDM4E B2RXH2 7/20 0.40
MAPK1 P28482 5/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
GFER P55789 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL13462876 1.00 GAA (0.41) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL11942270 1.00 GAA (0.41) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL11935894 1.00 GAA (0.41) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL13564992 0.87 MAPT (0.44) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL17090550 0.87 MAPT (0.44) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL17090480 0.87 MAPT (0.44) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL13105770 0.87 MAPT (0.44) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL11935323 0.84 GAA (0.45) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL13565598 0.84 GAA (0.44) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL13565654 0.84 GAA (0.44) GAAL3MBTL1RAB9ANPC1MAPT

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