SCHEMBL6864772

SCHEMBL6864772

C=C(N)CNC(=O)c1cnc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)s1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.60
ABL1 P00519 1/20 0.43
SCD O00767 3/20 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
SCHEMBL13506199 0.93 GPR52 (0.69) GPR52ABL1SCD
SCHEMBL6865682 0.87 GPR52 (0.69) GPR52ABL1
SCHEMBL6864408 0.85 GPR52 (0.70) GPR52SCD
SCHEMBL7953999 0.85 GPR52 (0.64) GPR52SCD
SCHEMBL13505553 0.84 GPR52 (0.54) GPR52ABL1SCD
SCHEMBL6864852 0.80 GPR52 (0.58) GPR52
SCHEMBL13506065 0.80 GPR52 (0.51) GPR52ABL1SCD
SCHEMBL6864185 0.78 GPR52 (0.69) GPR52
SCHEMBL3206560 0.78 GPR52 (0.73) GPR52SCD
SCHEMBL1855122 0.77 GPR52 (0.69) GPR52ABL1SCD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed