SCHEMBL6864741

SCHEMBL6864741

Cn1nc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1C(=O)NCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 20/20 1.00
HTR2B P41595 1/20 0.43

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
SCHEMBL13506233 0.89 GPR52 (0.81) GPR52
SCHEMBL13505677 0.87 GPR52 (0.77) GPR52
SCHEMBL13505915 0.86 GPR52 (0.76) GPR52
SCHEMBL6865299 0.83 GPR52 (0.71) GPR52
SCHEMBL3217375 0.82 GPR52 (0.70) GPR52
SCHEMBL1857354 0.82 GPR52 (0.70) GPR52
SCHEMBL3210137 0.82 GPR52 (0.78) GPR52
SCHEMBL3208972 0.82 GPR52 (0.73) GPR52
SCHEMBL3196520 0.81 GPR52 (0.86) GPR52
SCHEMBL6864348 0.81 GPR52 (0.69) GPR52HTR2B

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