SCHEMBL1852537

SCHEMBL1852537

CCOC(=O)c1cccc(-c2cccc3cc(C(O)c4cccc(C(F)(F)F)c4)sc23)c1.OC(c1cccc(C(F)(F)F)c1)c1cc2cccc(Br)c2s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.45
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SCD O00767 1/20 0.37
SYK P43405 1/20 0.37
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL3204669 0.95 GPR52 (0.49) GPR52MAPTMEN1KMT2AS1PR4
SCHEMBL1851846 0.90 GPR52 (0.45) GPR52MAPTMEN1KMT2AS1PR4
SCHEMBL3211192 0.86 GPR52 (0.47) GPR52MAPTMEN1KMT2AS1PR4
SCHEMBL1853719 0.83 GPR52 (0.44) GPR52MAPTMEN1KMT2AS1PR4
SCHEMBL3198656 0.82 GPR52 (0.49) GPR52MEN1KMT2AS1PR4S1PR5
SCHEMBL3219110 0.81 GPR52 (0.51) GPR52S1PR4S1PR5SCDCES2
SCHEMBL1850452 0.80 GPR52 (0.46) GPR52MAPTS1PR4S1PR5SCD
SCHEMBL1853390 0.80 PNMT (0.43) MAPTMEN1KMT2ASCDALDH1A1
SCHEMBL3218871 0.79 GPR52 (0.71) GPR52S1PR4S1PR5SCDALDH1A1
SCHEMBL1850455 0.78 GPR52 (0.49) GPR52MEN1KMT2AS1PR4S1PR5

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