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SCHEMBL1852511

SCHEMBL1852511

NC(=O)CN(C(=O)c1cccc(-c2cccc3sc(Cc4ccc(F)c(F)c4)cc23)c1)c1cccc(-c2cccc3sc(Cc4ccc(F)c(F)c4)cc23)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 3/20 0.44
▸ SLC9A1 P19634 11/20 0.36
▸ S1PR5 Q9H228 4/20 0.36
▸ S1PR4 O95977 3/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33

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
SCHEMBL3223348 0.84 GPR52 (0.52) GPR52SLC9A1S1PR5S1PR4PARP1
SCHEMBL1851699 0.81 GPR52 (0.52) GPR52SLC9A1S1PR5S1PR4RIPK1
SCHEMBL3209979 0.80 GPR52 (0.61) GPR52SLC9A1S1PR5S1PR4
SCHEMBL7955979 0.79 GPR52 (0.51) GPR52SLC9A1S1PR5S1PR4
SCHEMBL1852510 0.77 GPR52 (0.57) GPR52SLC9A1S1PR5S1PR4
SCHEMBL1850974 0.77 GPR52 (0.44) GPR52SLC9A1PARP1
SCHEMBL3204287 0.76 GPR52 (0.50) GPR52S1PR5
SCHEMBL1856035 0.73 GPR52 (0.49) GPR52S1PR5
SCHEMBL1851289 0.73 GPR52 (0.50) GPR52SLC9A1S1PR5S1PR4RIPK1
SCHEMBL3204361 0.73 GPR52 (0.59) GPR52S1PR5S1PR4

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