SCHEMBL6863956

SCHEMBL6863956

COc1cc(Cc2cc3cccc(-n4nc(C)c(C(=O)NCCO)c4C)c3s2)ccc1F

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.71
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
WNT3A P56704 1/20 0.38

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
SCHEMBL6864527 0.90 GPR52 (0.60) GPR52WNT3A
SCHEMBL13506346 0.88 GPR52 (0.56) GPR52LMNAWNT3A
SCHEMBL6865118 0.87 GPR52 (0.55) GPR52WNT3A
SCHEMBL6865110 0.86 GPR52 (0.76) GPR52WNT3A
SCHEMBL13506100 0.85 GPR52 (0.54) GPR52LMNA
SCHEMBL6863895 0.85 GPR52 (0.80) GPR52MAPTWNT3A
SCHEMBL13505899 0.84 GPR52 (0.71) GPR52
SCHEMBL6865361 0.84 GPR52 (0.73) GPR52WNT3A
SCHEMBL6864495 0.83 GPR52 (1.00) GPR52
SCHEMBL6864790 0.80 GPR52 (1.00) 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