SCHEMBL6864495

SCHEMBL6864495

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 20/20 1.00
HTR2B P41595 1/20 0.43

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
SCHEMBL6864790 0.94 GPR52 (1.00) GPR52HTR2B
SCHEMBL13505642 0.92 GPR52 (1.00) GPR52
SCHEMBL6866189 0.92 GPR52 (1.00) GPR52HTR2B
SCHEMBL6864973 0.89 GPR52 (0.81) GPR52
SCHEMBL6863913 0.89 GPR52 (0.86) GPR52
SCHEMBL6865079 0.89 GPR52 (0.80) GPR52HTR2B
SCHEMBL6863895 0.89 GPR52 (0.80) GPR52
SCHEMBL6864488 0.88 GPR52 (0.79) GPR52HTR2B
SCHEMBL13506314 0.87 GPR52 (0.77) GPR52
SCHEMBL6865207 0.87 GPR52 (0.77) GPR52HTR2B

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