SCHEMBL1853392

SCHEMBL1853392

CCOC(=O)c1cccc(-c2cccc3cc(CO)sc23)c1.NC(=O)CNC(=O)c1cccc(-c2cccc3cc(CO)sc23)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.61
KIFC1 Q9BW19 8/20 0.45
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL1850570 0.91 GPR52 (0.69) GPR52KIFC1MEN1NPC1RAB9A
SCHEMBL1854619 0.91 GPR52 (0.68) GPR52S1PR4S1PR5
SCHEMBL1848922 0.88 GPR52 (0.46) GPR52KIFC1S1PR4S1PR5
SCHEMBL1851881 0.85 GPR52 (0.66) GPR52KIFC1MEN1NPC1RAB9A
SCHEMBL1856500 0.84 GPR52 (0.66) GPR52KIFC1S1PR4S1PR5MEN1
SCHEMBL3221341 0.80 GPR52 (0.77) GPR52S1PR4S1PR5
SCHEMBL1853467 0.80 PRF1 (0.48) S1PR4S1PR5NPC1RAB9A
SCHEMBL1847859 0.79 GPR52 (0.46) GPR52S1PR4S1PR5NPC1RAB9A
SCHEMBL1850137 0.79 GPR52 (0.69) GPR52KIFC1S1PR4S1PR5NPC1
SCHEMBL1850159 0.78 GPR52 (0.54) GPR52S1PR4S1PR5NPC1RAB9A

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed