SCHEMBL6865577

SCHEMBL6865577

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 1.00
SCD O00767 4/20 0.41
GLS O94925 1/20 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
SCHEMBL6864474 0.93 GPR52 (0.87) GPR52SCD
SCHEMBL6864624 0.92 GPR52 (1.00) GPR52
SCHEMBL6864620 0.88 GPR52 (0.81) GPR52
SCHEMBL13506129 0.86 GPR52 (0.77) GPR52
SCHEMBL13505878 0.85 GPR52 (0.76) GPR52
SCHEMBL13505580 0.85 GPR52 (1.00) GPR52SCD
SCHEMBL13505642 0.85 GPR52 (1.00) GPR52SCD
SCHEMBL13505659 0.85 GPR52 (0.73) GPR52
SCHEMBL6864360 0.84 GPR52 (1.00) GPR52
SCHEMBL6864108 0.84 GPR52 (0.85) 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 3 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 claimed
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