SCHEMBL13564992

SCHEMBL13564992

CC1CN(c2ccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C[C@@H](C)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
GAA P10253 8/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX12 P18054 8/20 0.40
KDM4E B2RXH2 7/20 0.40
ALOX15 P16050 7/20 0.40
MAPK1 P28482 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
GFER P55789 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL13105770 1.00 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090480 1.00 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090550 1.00 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL11935854 0.88 GHSR (0.40) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL11940095 0.88 GHSR (0.40) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13565349 0.87 MAPT (0.40) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13565668 0.87 L3MBTL1 (0.38) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090283 0.87 MAPT (0.40) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13462876 0.87 GAA (0.41) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090223 0.87 GAA (0.41) MAPTGAAL3MBTL1RAB9ANPC1

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