SCHEMBL6865682

SCHEMBL6865682

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 19/20 0.69
ABL1 P00519 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
SCHEMBL6864408 0.91 GPR52 (0.70) GPR52
SCHEMBL13506199 0.89 GPR52 (0.69) GPR52ABL1
SCHEMBL6864772 0.87 GPR52 (0.60) GPR52ABL1
SCHEMBL13505553 0.86 GPR52 (0.54) GPR52ABL1
SCHEMBL6864774 0.86 GPR52 (0.69) GPR52
SCHEMBL6864348 0.84 GPR52 (0.69) GPR52
SCHEMBL3208972 0.84 GPR52 (0.73) GPR52
SCHEMBL3196520 0.83 GPR52 (0.86) GPR52
SCHEMBL3217375 0.83 GPR52 (0.70) GPR52
SCHEMBL3196429 0.82 GPR52 (0.67) 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