SCHEMBL8185668

SCHEMBL8185668

CN(CC(C)(C)NC(=O)c1ccc(F)cc1)c1ncc(/C=C/C(=O)NOC2CCCCO2)cc1I

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
MAPT P10636 2/20 0.33
TGFBR1 P36897 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SSTR3 P32745 1/20 0.33
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.31
HDAC1 Q13547 2/20 0.31
PLK1 P53350 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL13428541 0.80 SSTR3 (0.35) P2RX3GSTP1GSTM2MAPTTGFBR1
SCHEMBL8183546 0.74 KMT2A (0.37) MAPTTGFBR1KMT2AHDAC1
SCHEMBL8185667 0.72 P2RX3 (0.35) P2RX3GSTP1GSTM2TGFBR1ALDH1A1
SCHEMBL8182903 0.72 KDM4E (0.37) P2RX3MAPTALDH1A1LMNAKMT2A
SCHEMBL8173598 0.71 TGFBR1 (0.35) P2RX3TGFBR1
SCHEMBL8182243 0.71 MAPT (0.38) MAPTALDH1A1LMNAKMT2AHDAC1
SCHEMBL8189381 0.71 ALDH1A1 (0.35) TGFBR1ALDH1A1LMNAKMT2AHDAC1
SCHEMBL13428496 0.69 NR1H4 (0.34) P2RX3MAPTTGFBR1ALDH1A1LMNA
SCHEMBL4225299 0.69 CDK12 (0.40)
SCHEMBL4225295 0.69 CDK12 (0.40)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed