SCHEMBL1848607

SCHEMBL1848607

CS(=O)(=O)c1cc(F)cc(Cc2cc3cccc(-c4cccc(C(=O)O)c4)c3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.56
S1PR5 Q9H228 12/20 0.43
PTGER1 P34995 3/20 0.40
S1PR4 O95977 10/20 0.39
MAOA P21397 1/20 0.36
BLVRB P30043 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1849223 0.92 GPR52 (0.55) GPR52S1PR5S1PR4
SCHEMBL1850277 0.88 GPR52 (0.54) GPR52S1PR5S1PR4
SCHEMBL1851499 0.86 GPR52 (0.65) GPR52S1PR5S1PR4
SCHEMBL1849572 0.84 GPR52 (0.71) GPR52S1PR5PTGER1S1PR4MAOA
SCHEMBL1852578 0.83 GPR52 (0.61) GPR52S1PR5S1PR4
SCHEMBL1848035 0.79 GPR52 (0.53) GPR52S1PR5S1PR4MAOABLVRB
SCHEMBL1850479 0.78 GPR52 (0.53) GPR52PTGER1
SCHEMBL1850213 0.78 GPR52 (0.54) GPR52S1PR5PTGER1S1PR4
SCHEMBL1848226 0.78 GPR52 (0.42) GPR52PTGER1HDAC6
SCHEMBL1851248 0.77 GPR52 (0.51) 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