SCHEMBL6863891

SCHEMBL6863891

Cc1nn(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c(C)c1C(=O)NCCO

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.64
PTGER4 P35408 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2B P41595 1/20 0.40

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
SCHEMBL6864528 0.91 GPR52 (0.55) GPR52NPC1RAB9A
SCHEMBL6864177 0.89 GPR52 (0.51) GPR52PTGER4NPC1RAB9A
SCHEMBL13505881 0.87 GPR52 (0.49) GPR52PTGER4
SCHEMBL6865232 0.86 GPR52 (0.48) GPR52PTGER4
SCHEMBL13506435 0.84 PDE4B (0.48) GPR52
SCHEMBL13505604 0.83 GPR52 (0.45) GPR52NPC1RAB9A
SCHEMBL6864796 0.81 GPR52 (0.77) GPR52HTR2B
SCHEMBL6864979 0.80 GPR52 (0.69) GPR52HTR2B
SCHEMBL6864264 0.78 GPR52 (0.67) GPR52
SCHEMBL6864495 0.78 GPR52 (1.00) GPR52HTR2B

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