SCHEMBL6864979

SCHEMBL6864979

Cc1nn(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c(C)c1C(=O)NCCO

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 20/20 0.69
HTR2B P41595 1/20 0.44

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
SCHEMBL6864412 0.90 GPR52 (0.60) GPR52
SCHEMBL6864254 0.90 GPR52 (0.55) GPR52
SCHEMBL13505872 0.87 GPR52 (0.51) GPR52
SCHEMBL6864272 0.87 GPR52 (0.50) GPR52
SCHEMBL6864796 0.85 GPR52 (0.77) GPR52HTR2B
SCHEMBL13505650 0.84 GPR52 (0.49) GPR52
SCHEMBL6864495 0.81 GPR52 (1.00) GPR52HTR2B
SCHEMBL6864488 0.81 GPR52 (0.79) GPR52HTR2B
SCHEMBL6863891 0.80 GPR52 (0.64) GPR52HTR2B
SCHEMBL6863606 0.77 GPR52 (0.67) 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