SCHEMBL1852578

SCHEMBL1852578

O=C(O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.61
S1PR5 Q9H228 10/20 0.48
S1PR4 O95977 9/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1850065 0.91 GPR52 (0.64) GPR52S1PR5S1PR4
SCHEMBL1853402 0.89 GPR52 (0.75) GPR52S1PR5S1PR4
SCHEMBL1849090 0.87 GPR52 (0.60) GPR52S1PR5S1PR4
SCHEMBL1849572 0.86 GPR52 (0.71) GPR52S1PR5S1PR4
SCHEMBL3219334 0.86 GPR52 (0.82) GPR52S1PR5S1PR4
SCHEMBL3198362 0.85 GPR52 (0.61) GPR52S1PR5S1PR4
SCHEMBL1849113 0.84 GPR52 (0.63) GPR52S1PR5S1PR4
SCHEMBL3209014 0.84 GPR52 (0.83) GPR52S1PR5S1PR4
SCHEMBL1848607 0.83 GPR52 (0.56) GPR52S1PR5S1PR4
SCHEMBL1847713 0.82 GPR52 (0.62) 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