SCHEMBL1855818

SCHEMBL1855818

CCOC(=O)c1cccc(-c2cccc3c(F)c(Cc4cccc(C(F)(F)F)c4)sc23)c1.NC(=O)CNC(=O)c1cccc(-c2cccc3c(F)c(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.65
MRGPRX4 Q96LA9 1/20 0.41
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL3213412 0.93 GPR52 (0.73) GPR52MRGPRX4MEN1KMT2A
SCHEMBL1856392 0.91 GPR52 (0.55) GPR52MRGPRX4MEN1MAPTKMT2A
SCHEMBL1849132 0.91 GPR52 (0.49) GPR52LMNAMEN1MAPTKMT2A
SCHEMBL1856519 0.90 GPR52 (0.65) GPR52MRGPRX4ALDH1A1POLB
SCHEMBL1847725 0.88 GPR52 (0.70) GPR52MRGPRX4
SCHEMBL3206568 0.85 GPR52 (0.62) GPR52MRGPRX4MEN1KMT2A
SCHEMBL3210910 0.84 GPR52 (0.71) GPR52MRGPRX4
SCHEMBL1850978 0.83 GPR52 (0.49) GPR52LMNAMEN1MAPTKMT2A
SCHEMBL1848431 0.82 GPR52 (0.42) GPR52LMNAMEN1MAPTKMT2A
SCHEMBL1855487 0.81 GPR52 (0.55) GPR52MRGPRX4MAPTALDH1A1

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