SCHEMBL6864348

SCHEMBL6864348

Cc1nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)sc1C(=O)NCCO

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 19/20 0.69
PPARA Q07869 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL6866406 0.92 GPR52 (0.71) GPR52PPARA
SCHEMBL6864774 0.91 GPR52 (0.69) GPR52
SCHEMBL13505925 0.90 GPR52 (0.56) GPR52PPARA
SCHEMBL6864185 0.89 GPR52 (0.69) GPR52PPARA
SCHEMBL13506251 0.86 ALDH1A1 (0.59) GPR52
SCHEMBL6863562 0.86 GPR52 (0.56) GPR52
SCHEMBL6865682 0.84 GPR52 (0.69) GPR52
SCHEMBL13505942 0.83 GPR52 (0.53) GPR52
SCHEMBL6863606 0.83 GPR52 (0.67) GPR52PPARAHTR2B
SCHEMBL3196520 0.83 GPR52 (0.86) 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