SCHEMBL6864527

SCHEMBL6864527

COc1cc(Cc2cc3cccc(-n4nc(C)c(C(=O)NCC(N)=O)c4C)c3s2)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.60
POLB P06746 1/20 0.37
WNT3A P56704 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 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
SCHEMBL6863956 0.90 GPR52 (0.71) GPR52WNT3A
SCHEMBL6865118 0.90 GPR52 (0.55) GPR52POLBWNT3A
SCHEMBL13506346 0.87 GPR52 (0.56) GPR52WNT3A
SCHEMBL6864696 0.86 GPR52 (0.61) GPR52POLBWNT3ANPC1RAB9A
SCHEMBL6865414 0.85 GPR52 (0.64) GPR52WNT3ANPC1RAB9AHPGD
SCHEMBL13506100 0.85 GPR52 (0.54) GPR52POLB
SCHEMBL13506218 0.84 GPR52 (0.57) GPR52POLBWNT3ANPC1RAB9A
SCHEMBL6864973 0.83 GPR52 (0.81) GPR52
SCHEMBL13506490 0.79 GPR52 (0.83) GPR52
SCHEMBL6866231 0.77 GPR52 (0.64) GPR52

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