SCHEMBL6864852

SCHEMBL6864852

C=C(N)CNC(=O)c1c(C)nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)n1C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 19/20 0.58
GRIA2 P42262 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 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
SCHEMBL13506797 0.94 GPR52 (0.66) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6864675 0.88 GPR52 (0.55) GPR52
SCHEMBL13506058 0.85 GPR52 (0.55) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6864259 0.83 GPR52 (0.66) GPR52GRIA2GRIN1GRIN2A
SCHEMBL13505393 0.82 GPR52 (0.53) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6865069 0.80 GPR52 (0.65) GPR52
SCHEMBL6864772 0.80 GPR52 (0.60) GPR52
SCHEMBL7953999 0.79 GPR52 (0.64) GPR52
SCHEMBL6865325 0.79 GPR52 (0.55) GPR52
SCHEMBL6864185 0.78 GPR52 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed