SCHEMBL6865069

SCHEMBL6865069

Cn1c(C(=O)NCC(N)=O)cnc1-c1cccc2cc(Cc3cccc(C(F)(F)F)c3)sc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.65
SCD O00767 3/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL13505766 0.87 GPR52 (0.57) GPR52SCDABL1
SCHEMBL6864259 0.86 GPR52 (0.66) GPR52
SCHEMBL13506797 0.86 GPR52 (0.66) GPR52
SCHEMBL13506238 0.86 GPR52 (0.57) GPR52SCD
SCHEMBL13506233 0.85 GPR52 (0.81) GPR52SCD
SCHEMBL1855122 0.82 GPR52 (0.69) GPR52SCDABL1
SCHEMBL13506199 0.82 GPR52 (0.69) GPR52SCDABL1
SCHEMBL6864185 0.82 GPR52 (0.69) GPR52
SCHEMBL3221644 0.82 GPR52 (0.71) GPR52
SCHEMBL6864122 0.82 GPR52 (0.66) GPR52SCDABL1

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-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed