SCHEMBL6864412

SCHEMBL6864412

Cc1nn(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c(C)c1C(=O)NCCOC(C)C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 16/20 0.60
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL6864979 0.90 GPR52 (0.69) GPR52
SCHEMBL6864254 0.86 GPR52 (0.55) GPR52MTNR1AMTNR1BNPC1RAB9A
SCHEMBL13505872 0.84 GPR52 (0.51) GPR52MTNR1AMTNR1B
SCHEMBL6864272 0.83 GPR52 (0.50) GPR52
SCHEMBL13505650 0.83 GPR52 (0.49) GPR52
SCHEMBL13505642 0.75 GPR52 (1.00) GPR52
SCHEMBL6864796 0.75 GPR52 (0.77) GPR52
SCHEMBL6864495 0.72 GPR52 (1.00) GPR52
SCHEMBL6864488 0.72 GPR52 (0.79) GPR52
SCHEMBL6864628 0.71 GPR52 (0.62) 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