SCHEMBL6863958

SCHEMBL6863958

Cc1cccc(Cc2cc3cccc(-n4nc(C)c(C(N)=O)c4C)c3s2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.59
FYN P06241 2/20 0.40
KDM4E B2RXH2 2/20 0.36
WNT3A P56704 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.35
ABL1 P00519 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL13506727 0.91 GPR52 (0.59) GPR52FYNKDM4EWNT3AMEN1
SCHEMBL6865414 0.88 GPR52 (0.64) GPR52WNT3ANPC1MAPTHPGD
SCHEMBL6865015 0.88 GPR52 (0.76) GPR52
SCHEMBL13505504 0.87 GPR52 (0.57) GPR52MEN1ALDH1A1HPGDKMT2A
SCHEMBL6865073 0.87 GPR52 (0.56) GPR52WNT3APDE4B
SCHEMBL6863895 0.85 GPR52 (0.80) GPR52WNT3ANPC1MAPTHPGD
SCHEMBL6864693 0.81 GPR52 (0.78) GPR52
SCHEMBL13505508 0.78 GPR52 (0.56) GPR52WNT3APDE4B
SCHEMBL6865119 0.78 GPR52 (0.78) GPR52
SCHEMBL6864973 0.77 GPR52 (0.81) 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