SCHEMBL6864598

SCHEMBL6864598

O=C(NCCO)c1cn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)nc1C1CC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 20/20 0.78

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
SCHEMBL6864605 0.90 GPR52 (0.63) GPR52
SCHEMBL6864108 0.89 GPR52 (0.85) GPR52
SCHEMBL13505908 0.88 GPR52 (0.61) GPR52
SCHEMBL6864624 0.88 GPR52 (1.00) GPR52
SCHEMBL6866240 0.85 GPR52 (0.81) GPR52
SCHEMBL13506093 0.84 GPR52 (0.61) GPR52
SCHEMBL13506214 0.81 GPR52 (1.00) GPR52
SCHEMBL6864474 0.81 GPR52 (0.87) GPR52
SCHEMBL6865577 0.80 GPR52 (1.00) GPR52
SCHEMBL6865079 0.79 GPR52 (0.80) 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