SCHEMBL6865532

SCHEMBL6865532

Cc1nn(-c2cccc3nn(Cc4cc(F)cc(C(F)(F)F)c4)cc23)c(C)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.40
BTK Q06187 2/20 0.36
RORC P51449 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BMX P51813 1/20 0.34
WNT3A P56704 1/20 0.34
SCN9A Q15858 2/20 0.33
TACR1 P25103 1/20 0.33
P2RX7 Q99572 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL13506119 0.92 GPR52 (0.40) GPR52RORCWNT3ATACR1P2RX7
SCHEMBL6865232 0.90 GPR52 (0.48) GPR52BTKTECTXKBMX
SCHEMBL13506389 0.89 PDE4B (0.46) GPR52
SCHEMBL6864531 0.88 PDE4B (0.37) GPR52RORCWNT3ASCN9AP2RX7
SCHEMBL6864528 0.87 GPR52 (0.55) GPR52TACR1
SCHEMBL13505881 0.82 GPR52 (0.49) GPR52
SCHEMBL6864177 0.80 GPR52 (0.51) GPR52
SCHEMBL13506622 0.79 LMNA (0.46) RORCWNT3AP2RX7
SCHEMBL13506435 0.79 PDE4B (0.48) GPR52
SCHEMBL6863891 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