SCHEMBL6863098

SCHEMBL6863098

Cc1cn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)nc1C(=O)NCC(N)=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.65
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL6864620 0.89 GPR52 (0.81) GPR52
SCHEMBL13506176 0.87 GPR52 (0.69) GPR52SCD
SCHEMBL13505736 0.87 GPR52 (0.65) GPR52
SCHEMBL13505735 0.85 GPR52 (0.66) GPR52SCD
SCHEMBL6864660 0.85 GPR52 (0.66) GPR52
SCHEMBL6863905 0.84 GPR52 (0.60) GPR52GRIA2GRIN1GRIN2ASCD
SCHEMBL6864502 0.84 GPR52 (0.81) GPR52SCD
SCHEMBL13506122 0.84 GPR52 (0.62) GPR52SCD
SCHEMBL6864385 0.83 GPR52 (0.62) GPR52GRIA2GRIN1GRIN2ASCD
SCHEMBL6864973 0.83 GPR52 (0.81) GPR52GRIA2GRIN1GRIN2A

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