SCHEMBL13565637

SCHEMBL13565637

CCCCOc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NR5A1 Q13285 1/20 0.39
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
TSHR P16473 1/20 0.37
CA7 P43166 1/20 0.37
CISD1 Q9NZ45 5/20 0.37

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
SCHEMBL13564906 0.86 LMNA (0.39) L3MBTL1ALDH1A1GAAMAPTLMNA
SCHEMBL10113565 0.85 CNR2 (0.45) ALDH1A1CNR2CNR1
SCHEMBL13564897 0.84 LMNA (0.38) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL13565781 0.84 GRIA1 (0.43) L3MBTL1MEN1NPC1ALDH1A1GAA
SCHEMBL17090510 0.83 MAPT (0.52) MEN1NPC1GAAMAPTRAB9A
SCHEMBL11934985 0.81 NPC1 (0.48) NPC1ALDH1A1RAB9ALMNAHTT
SCHEMBL13565817 0.81 THRB (0.46) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL11934986 0.79 NR5A1 (0.45) L3MBTL1MEN1NPC1ALDH1A1GAA
SCHEMBL13565681 0.79 PNLIP (0.42) LMNAHTTCNR2
SCHEMBL10113573 0.75 HDAC3 (0.48) ALDH1A1CNR2CNR1

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