SCHEMBL1856450

SCHEMBL1856450

FC(F)(F)c1cccc(Cc2cc3cccc(Br)c3s2)c1.NC(=O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.62
S1PR4 O95977 2/20 0.45
S1PR5 Q9H228 2/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL3200888 0.94 GPR52 (0.68) GPR52S1PR4S1PR5MAOB
SCHEMBL1852707 0.86 GPR52 (0.56) GPR52S1PR4S1PR5
SCHEMBL1852567 0.85 GPR52 (0.78) GPR52S1PR4S1PR5
SCHEMBL1853172 0.85 GPR52 (0.67) GPR52S1PR4S1PR5
SCHEMBL1850787 0.83 GPR52 (0.66) GPR52S1PR4S1PR5
SCHEMBL1849577 0.83 GPR52 (0.51) GPR52
SCHEMBL1846879 0.83 GPR52 (0.85) GPR52S1PR4S1PR5
SCHEMBL1853546 0.82 GPR52 (0.65) GPR52S1PR4S1PR5
SCHEMBL3223178 0.82 GPR52 (0.60) GPR52S1PR4S1PR5MAOB
SCHEMBL1854179 0.81 GPR52 (0.62) GPR52S1PR4S1PR5

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