SCHEMBL6864259

SCHEMBL6864259

Cc1c(C(=O)NCC(N)=O)nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)n1C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.66
GRIA2 P42262 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
CCR1 P32246 1/20 0.40

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
SCHEMBL6865325 0.89 GPR52 (0.55) GPR52
SCHEMBL13506797 0.89 GPR52 (0.66) GPR52GRIA2GRIN1GRIN2A
SCHEMBL13505894 0.86 GPR52 (0.55) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6865069 0.86 GPR52 (0.65) GPR52
SCHEMBL13506211 0.83 GPR52 (0.53) GPR52
SCHEMBL6864185 0.83 GPR52 (0.69) GPR52
SCHEMBL6864852 0.83 GPR52 (0.58) GPR52GRIA2GRIN1GRIN2A
SCHEMBL3221644 0.82 GPR52 (0.71) GPR52
SCHEMBL13506233 0.82 GPR52 (0.81) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6864122 0.82 GPR52 (0.66) 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