SCHEMBL6864077

SCHEMBL6864077

NC(=O)CNC(=O)c1cn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.60
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SCD O00767 4/20 0.40

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
SCHEMBL6864929 0.90 GPR52 (0.70) GPR52
SCHEMBL6866106 0.87 GPR52 (0.70) GPR52PSEN1PSEN2APH1BNCSTN
SCHEMBL13506369 0.86 GPR52 (0.55) GPR52PSEN1PSEN2APH1BNCSTN
SCHEMBL6864660 0.84 GPR52 (0.66) GPR52
SCHEMBL6863905 0.84 GPR52 (0.60) GPR52SCD
SCHEMBL13506176 0.82 GPR52 (0.69) GPR52SCD
SCHEMBL6864502 0.82 GPR52 (0.81) GPR52SCD
SCHEMBL13505990 0.82 GPR52 (0.54) GPR52PSEN1PSEN2APH1BNCSTN
SCHEMBL6864620 0.81 GPR52 (0.81) GPR52
SCHEMBL6863098 0.81 GPR52 (0.65) GPR52SCD

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