SCHEMBL6864264

SCHEMBL6864264

Cc1nc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)sc1C(=O)NCCO

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.67
CHRM4 P08173 1/20 0.44
SCD O00767 1/20 0.43
PPARA Q07869 1/20 0.42
PPARD Q03181 1/20 0.41

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
SCHEMBL6864201 0.91 GPR52 (0.68) GPR52
SCHEMBL6864277 0.90 GPR52 (0.53) GPR52CHRM4SCDPPARA
SCHEMBL13506153 0.88 SMN1; SMN2 (0.54) GPR52SCDPPARA
SCHEMBL6864575 0.87 GPR52 (0.52) GPR52
SCHEMBL13505649 0.85 GPR52 (0.50) GPR52
SCHEMBL3196264 0.83 GPR52 (0.73) GPR52
SCHEMBL3207056 0.80 GPR52 (1.00) GPR52
SCHEMBL13505964 0.80 GPR52 (0.53) GPR52
SCHEMBL7961131 0.80 GPR52 (0.80) GPR52
SCHEMBL6863606 0.80 GPR52 (0.67) GPR52CHRM4PPARA

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