SCHEMBL6864474

SCHEMBL6864474

COCCNC(=O)c1cn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)nc1C(F)(F)F

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.87
DGAT1 O75907 3/20 0.44
SCD O00767 2/20 0.42

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
SCHEMBL6865577 0.93 GPR52 (1.00) GPR52SCD
SCHEMBL6864108 0.91 GPR52 (0.85) GPR52
SCHEMBL13506176 0.87 GPR52 (0.69) GPR52SCD
SCHEMBL13506081 0.86 GPR52 (0.66) GPR52SCD
SCHEMBL6865090 0.86 GPR52 (0.67) GPR52SCD
SCHEMBL13505580 0.86 GPR52 (1.00) GPR52SCD
SCHEMBL6864477 0.85 GPR52 (0.65) GPR52
SCHEMBL6864624 0.85 GPR52 (1.00) GPR52
SCHEMBL13505858 0.85 GPR52 (0.65) GPR52
SCHEMBL6864360 0.83 GPR52 (1.00) 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