SCHEMBL6865299

SCHEMBL6865299

C=C(NCC(N)=O)c1cc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)nn1C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 18/20 0.71
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.92 GPR52 (0.81) GPR52S1PR4S1PR5
SCHEMBL13505677 0.85 GPR52 (0.77) GPR52S1PR4S1PR5
SCHEMBL13505915 0.84 GPR52 (0.76) GPR52S1PR4S1PR5
SCHEMBL6864741 0.83 GPR52 (1.00) GPR52
SCHEMBL6864122 0.81 GPR52 (0.66) GPR52
SCHEMBL1848342 0.79 GPR52 (0.73) GPR52
SCHEMBL6865069 0.79 GPR52 (0.65) GPR52
SCHEMBL1855122 0.78 GPR52 (0.69) GPR52S1PR4S1PR5
SCHEMBL6864259 0.78 GPR52 (0.66) GPR52
SCHEMBL13506797 0.78 GPR52 (0.66) 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 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