SCHEMBL1708358

SCHEMBL1708358

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c3cccc4-n3c(C(C)C)nc4ccc(F)cc43)ccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ADORA2B P29275 1/20 0.32

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
SCHEMBL1708044 0.99 L3MBTL1 (0.33) L3MBTL1ADORA2B
SCHEMBL1708628 0.91 MAPT (0.32) ADORA2B
SCHEMBL1708395 0.91 MAPT (0.32) ADORA2B
SCHEMBL1708287 0.91 MAPT (0.32) ADORA2B
SCHEMBL1708091 0.90 ADORA2B (0.31) ADORA2B
SCHEMBL1708661 0.89 MAPT (0.33) L3MBTL1ADORA2B
SCHEMBL1708673 0.89 MAPT (0.33) L3MBTL1ADORA2B
SCHEMBL1707971 0.87 MAPT (0.34) ADORA2B
SCHEMBL1708269 0.87 MAPT (0.34) ADORA2B
SCHEMBL1708163 0.87 MAPT (0.34) ADORA2B

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed