Sugi Predict

Sugi Predict / Compounds / SCHEMBL1863284

SCHEMBL1863284

SCHEMBL1863284

CCOC(=O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1.O=C(O)c1ccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 14/20 0.59
▸ S1PR5 Q9H228 3/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGER4 P35408 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ NR4A2 P43354 1/20 0.44

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
SCHEMBL1854179 0.96 GPR52 (0.62) GPR52S1PR5S1PR4MEN1MAPT
SCHEMBL1853172 0.92 GPR52 (0.67) GPR52S1PR5S1PR4MEN1KMT2A
SCHEMBL1848119 0.88 GPR52 (0.71) GPR52S1PR5S1PR4MEN1MAPT
SCHEMBL1853348 0.87 GPR52 (0.52) GPR52S1PR5S1PR4MAPTPTGER4
SCHEMBL1853450 0.86 GPR52 (0.58) GPR52S1PR5S1PR4MEN1MAPT
SCHEMBL3204912 0.86 GPR52 (0.61) GPR52S1PR5S1PR4MEN1MAPT
SCHEMBL1853528 0.85 GPR52 (0.51) GPR52
SCHEMBL1856774 0.85 GPR52 (0.57) GPR52S1PR5S1PR4MEN1MAPT
SCHEMBL1849247 0.85 GPR52 (0.60) GPR52S1PR5S1PR4MEN1MAPT
SCHEMBL1853257 0.85 GPR52 (0.55) GPR52MEN1MAPTKMT2A

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