SCHEMBL1856500

SCHEMBL1856500

CCOC(=O)c1cccc(-c2cccc3cc(CNc4cccc(C(F)(F)F)c4)sc23)c1.NC(=O)CNC(=O)c1cccc(-c2cccc3cc(CNc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.66
S1PR4 O95977 6/20 0.48
S1PR5 Q9H228 6/20 0.48
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KIFC1 Q9BW19 1/20 0.38

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
SCHEMBL3210261 0.93 GPR52 (0.75) GPR52S1PR4S1PR5MAPTHTT
SCHEMBL1854516 0.91 S1PR4 (0.56) GPR52S1PR4S1PR5MEN1MAPT
SCHEMBL1853392 0.84 GPR52 (0.61) GPR52S1PR4S1PR5MEN1KMT2A
SCHEMBL3198611 0.84 GPR52 (0.76) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL1854277 0.80 S1PR5 (0.63) GPR52S1PR4S1PR5
SCHEMBL1852605 0.80 GPR52 (1.00) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL3219750 0.80 GPR52 (0.74) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL1854351 0.79 GPR52 (0.85) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL1850570 0.79 GPR52 (0.69) GPR52MEN1KMT2AKIFC1
SCHEMBL1858166 0.78 GPR52 (0.56) GPR52S1PR4S1PR5MEN1MAPT

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