SCHEMBL6864161

SCHEMBL6864161

Cc1nn(-c2cccc3sc(Cc4cc(F)cc(Cl)c4)cc23)c(C)c1C(=O)NCCO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.54
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL6865739 0.90 GPR52 (0.42) GPR52NPC1RAB9ATP53POLB
SCHEMBL13505838 0.87 LMNA (0.45) GPR52POLBMAPT
SCHEMBL13505899 0.87 GPR52 (0.71) GPR52SMN1; SMN2NPC1RAB9A
SCHEMBL13506492 0.87 GPR52 (0.41) GPR52MAPT
SCHEMBL13506568 0.86 GPR52 (0.54) GPR52SMN1; SMN2NPC1RAB9ATP53
SCHEMBL13506095 0.84 PDE4B (0.52) GPR52SMN1; SMN2
SCHEMBL6864796 0.83 GPR52 (0.77) GPR52
SCHEMBL13505604 0.81 GPR52 (0.45) GPR52SMN1; SMN2NPC1RAB9ATP53
SCHEMBL6865110 0.81 GPR52 (0.76) GPR52NPC1RAB9APOLB
SCHEMBL6865040 0.79 GPR52 (0.72) GPR52NPC1RAB9ATP53

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-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed