SCHEMBL6865739

SCHEMBL6865739

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.42
POLB P06746 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.33

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
SCHEMBL6864161 0.90 GPR52 (0.54) GPR52POLBNPC1RAB9ATP53
SCHEMBL13506492 0.89 GPR52 (0.41) GPR52
SCHEMBL13506218 0.87 GPR52 (0.57) GPR52POLBNPC1RAB9AHPGD
SCHEMBL13505838 0.87 LMNA (0.45) GPR52POLB
SCHEMBL13506417 0.86 GPR52 (0.43) GPR52POLBNPC1RAB9AHPGD
SCHEMBL13506095 0.84 PDE4B (0.52) GPR52HPGD
SCHEMBL6864628 0.83 GPR52 (0.62) GPR52NPC1RAB9A
SCHEMBL6864696 0.81 GPR52 (0.61) GPR52POLBNPC1RAB9AHPGD
SCHEMBL13506673 0.78 GPR52 (0.46) GPR52POLBHPGDTP53GAA
SCHEMBL13505899 0.77 GPR52 (0.71) GPR52NPC1RAB9A

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