SCHEMBL6865232

SCHEMBL6865232

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 6/20 0.48
TEC P42680 4/20 0.41
TXK P42681 4/20 0.41
BMX P51813 4/20 0.41
BTK Q06187 4/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ICMT O60725 2/20 0.40
PTGER4 P35408 1/20 0.40
MAPT P10636 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
SCHEMBL13505881 0.92 GPR52 (0.49) GPR52TSHRMAPK1SMN1; SMN2PTGER4
SCHEMBL6865532 0.90 GPR52 (0.40) GPR52TECTXKBMXBTK
SCHEMBL6864177 0.89 GPR52 (0.51) GPR52ATMTSHRMAPK1SMN1; SMN2
SCHEMBL13506435 0.88 PDE4B (0.48) GPR52TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL6863891 0.86 GPR52 (0.64) GPR52PTGER4
SCHEMBL13506119 0.82 GPR52 (0.40) GPR52PTGER4
SCHEMBL6864531 0.81 PDE4B (0.37) GPR52SMN1; SMN2
SCHEMBL13506389 0.79 PDE4B (0.46) GPR52SMN1; SMN2
SCHEMBL6865068 0.79 GPR52 (0.57) GPR52
SCHEMBL6864272 0.78 GPR52 (0.50) 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