SCHEMBL6864601

SCHEMBL6864601

Cc1nc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)sc1C(=O)NCC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.53
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 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
SCHEMBL6863606 0.89 GPR52 (0.67) GPR52ALDH1A1PPARASMN1; SMN2CHRM4
SCHEMBL6864668 0.89 GPR52 (0.51) GPR52ALDH1A1GAANPC1PPARA
SCHEMBL13505716 0.86 SMN1; SMN2 (0.57) GPR52ALDH1A1GAANPC1PPARA
SCHEMBL6864185 0.83 GPR52 (0.69) GPR52ALDH1A1GAANPC1PPARA
SCHEMBL13505788 0.83 MAPT (0.51) GPR52ALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL3217725 0.80 GPR52 (0.79) GPR52GAAMEN1KMT2A
SCHEMBL6864277 0.80 GPR52 (0.53) GPR52ALDH1A1GAANPC1PPARA
SCHEMBL6864254 0.77 GPR52 (0.55) GPR52NPC1SMN1; SMN2MAPT
SCHEMBL3206518 0.73 GPR52 (0.78) GPR52ALDH1A1
SCHEMBL1848355 0.73 GPR52 (0.78) GPR52ALDH1A1

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