SCHEMBL17090530

SCHEMBL17090530

CC(C)S(=O)(=O)NC(=O)CCCCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
BRD4 O60885 7/20 0.41
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL13566013 1.00 MAPT (0.43) MAPTBRD4HDAC6ALDH1A1GAA
SCHEMBL10134420 0.88 MAPT (0.50) MAPTALDH1A1GAATP53ALOX15
SCHEMBL10114811 0.88 MAPT (0.50) MAPTALDH1A1GAATP53ALOX15
SCHEMBL13566028 0.86 BRD4 (0.44) BRD4HDAC6GAA
SCHEMBL11935766 0.86 BRD4 (0.44) BRD4HDAC6GAA
SCHEMBL11935268 0.86 MAPT (0.43) MAPTBRD4HDAC6ALDH1A1GAA
SCHEMBL13565457 0.86 MAPT (0.43) MAPTBRD4HDAC6ALDH1A1GAA
SCHEMBL11941099 0.84 MAPT (0.44) MAPTBRD4LRRK2
SCHEMBL11935053 0.84 MAPT (0.44) MAPTBRD4LRRK2
SCHEMBL17090211 0.84 MAPT (0.44) MAPTBRD4LRRK2

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