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SCHEMBL6864628

SCHEMBL6864628

Cc1nn(-c2cccc3sc(Cc4cccc(C(F)(F)F)c4)cc23)c(C)c1C(=O)NCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 15/20 0.62
▸ SCD O00767 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR1 P32246 1/20 0.38

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
SCHEMBL6864796 0.89 GPR52 (0.77) GPR52
SCHEMBL6865068 0.89 GPR52 (0.57) GPR52SCD
SCHEMBL6864973 0.87 GPR52 (0.81) GPR52GRIA2GRIN1GRIN2A
SCHEMBL6866231 0.87 GPR52 (0.64) GPR52SCDGRIA2GRIN1GRIN2A
SCHEMBL13505547 0.86 GPR52 (0.57) GPR52SCD
SCHEMBL6864254 0.85 GPR52 (0.55) GPR52GRIA2GRIN1GRIN2ANPC1
SCHEMBL13506045 0.83 GPR52 (0.55) GPR52SCD
SCHEMBL6865739 0.83 GPR52 (0.42) GPR52NPC1RAB9A
SCHEMBL6864177 0.81 GPR52 (0.51) GPR52NPC1RAB9ACCR1
SCHEMBL13506490 0.81 GPR52 (0.83) GPR52SCDGRIA2GRIN1GRIN2A

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