SCHEMBL6864973

SCHEMBL6864973

Cc1nn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c(C)c1C(=O)NCC(N)=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 18/20 0.81
GRIA2 P42262 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 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
SCHEMBL13506490 0.94 GPR52 (0.83) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6863851 0.91 GPR52 (0.83) GPR52
SCHEMBL6864495 0.89 GPR52 (1.00) GPR52
SCHEMBL6865414 0.89 GPR52 (0.64) GPR52
SCHEMBL6865015 0.89 GPR52 (0.76) GPR52
SCHEMBL6864660 0.89 GPR52 (0.66) GPR52
SCHEMBL6866231 0.88 GPR52 (0.64) GPR52GRIA2GRIN1GRIN2A
SCHEMBL13505642 0.88 GPR52 (1.00) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6864011 0.88 GPR52 (0.81) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6864385 0.87 GPR52 (0.62) 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