SCHEMBL6863913

SCHEMBL6863913

COCc1c(C(=O)NCCO)c(C)nn1-c1cccc2cc(Cc3cccc(C(F)(F)F)c3)sc12

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 18/20 0.86
SCD O00767 2/20 0.41

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
SCHEMBL6866189 0.92 GPR52 (1.00) GPR52
SCHEMBL6864857 0.90 GPR52 (0.87) GPR52SCD
SCHEMBL6864495 0.89 GPR52 (1.00) GPR52
SCHEMBL6864790 0.87 GPR52 (1.00) GPR52
SCHEMBL13505642 0.86 GPR52 (1.00) GPR52SCD
SCHEMBL6865079 0.85 GPR52 (0.80) GPR52
SCHEMBL6863851 0.83 GPR52 (0.83) GPR52SCD
SCHEMBL6865207 0.83 GPR52 (0.77) GPR52
SCHEMBL6864245 0.81 GPR52 (0.79) GPR52
SCHEMBL13506336 0.81 GPR52 (0.79) GPR52

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