SCHEMBL13973019

SCHEMBL13973019

Nc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.62
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
SMYD3 Q9H7B4 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.54
ANO1 Q5XXA6 2/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53
EPHX1 P07099 1/20 0.52
GAA P10253 1/20 0.52
KDM1A O60341 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL13973006 0.87 RAB9A (0.68) HTR2BNPC1RAB9APKMLMNA
SCHEMBL24166611 0.84 NPC1 (0.62) HTR2BNPC1RAB9APKMALOX15
SCHEMBL3546724 0.84 RAB9A (0.70) NPC1RAB9ALMNASMN1; SMN2EPHX1
SCHEMBL12156569 0.82 RAB9A (0.67) NPC1RAB9ASMYD3LMNASMN1; SMN2
SCHEMBL11936013 0.82 EPHX1 (0.55) HTR2BNPC1RAB9ASMYD3L3MBTL1
SCHEMBL7233871 0.81 RAB9A (0.68) HTR2BNPC1RAB9APKML3MBTL1
SCHEMBL30426826 0.81 RAB9A (0.68) HTR2BNPC1RAB9APKML3MBTL1
SCHEMBL3771394 0.81 RAB9A (0.68) HTR2BNPC1RAB9APKML3MBTL1
SCHEMBL6326321 0.81 RAB9A (0.68) HTR2BNPC1RAB9APKML3MBTL1
SCHEMBL3771296 0.80 NPC1 (0.64) HTR2BNPC1RAB9APKMALOX15

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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed