SCHEMBL6866231

SCHEMBL6866231

Cc1nn(-c2ccc(F)c3cc(Cc4cccc(C(F)(F)F)c4)sc23)c(C)c1C(=O)NCC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.64
SCD O00767 1/20 0.39
CCR1 P32246 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL6864724 0.92 GPR52 (0.66) GPR52SCDCCR1
SCHEMBL6864296 0.90 GPR52 (0.64) GPR52SCDGRIA2GRIN1GRIN2A
SCHEMBL6864488 0.90 GPR52 (0.79) GPR52
SCHEMBL6864650 0.90 GPR52 (0.59) GPR52
SCHEMBL6864973 0.88 GPR52 (0.81) GPR52GRIA2GRIN1GRIN2A
SCHEMBL13505541 0.87 GPR52 (0.59) GPR52SCD
SCHEMBL6864628 0.87 GPR52 (0.62) GPR52SCDCCR1GRIA2GRIN1
SCHEMBL6864362 0.86 GPR52 (0.61) GPR52SCD
SCHEMBL13506758 0.84 GPR52 (0.57) GPR52SCD
SCHEMBL13506417 0.83 GPR52 (0.43) 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