SCHEMBL1855306

SCHEMBL1855306

O=C(NCCO)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)nc1.O=C(O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)nc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 20/20 0.69

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
SCHEMBL3208972 0.97 GPR52 (0.73) GPR52
SCHEMBL3219563 0.91 GPR52 (0.55) GPR52
SCHEMBL3263212 0.90 GPR52 (0.69) GPR52
SCHEMBL1850092 0.87 GPR52 (0.59) GPR52
SCHEMBL3206560 0.86 GPR52 (0.73) GPR52
SCHEMBL3210137 0.85 GPR52 (0.78) GPR52
SCHEMBL7953999 0.85 GPR52 (0.64) GPR52
SCHEMBL3196520 0.85 GPR52 (0.86) GPR52
SCHEMBL3196429 0.84 GPR52 (0.67) GPR52
SCHEMBL1853528 0.84 GPR52 (0.51) 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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed