SCHEMBL17112615

SCHEMBL17112615

C#C[C@](C)(CC)NC(=O)c1cc(F)cnc1NC1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ANO1 Q5XXA6 1/20 0.38
IRAK4 Q9NWZ3 8/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
MAPK8 P45983 1/20 0.34
HSD11B1 P28845 1/20 0.34
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL17110903 1.00 TRPA1 (0.46) TRPA1ANO1IRAK4L3MBTL1HTT
SCHEMBL17110910 1.00 TRPA1 (0.46) TRPA1ANO1IRAK4L3MBTL1HTT
SCHEMBL17110984 0.94 TRPA1 (0.49) TRPA1ANO1IRAK4L3MBTL1HTT
SCHEMBL17110894 0.94 TRPA1 (0.49) TRPA1ANO1IRAK4L3MBTL1HTT
SCHEMBL17110897 0.94 TRPA1 (0.49) TRPA1ANO1IRAK4L3MBTL1HTT
SCHEMBL15638540 0.90 TRPA1 (0.56) TRPA1IRAK4L3MBTL1HTTPOLB
SCHEMBL17112659 0.90 TRPA1 (0.56) TRPA1IRAK4L3MBTL1HTTPOLB
SCHEMBL17112679 0.90 TRPA1 (0.56) TRPA1IRAK4L3MBTL1HTTPOLB
SCHEMBL17110880 0.86 TRPA1 (0.46) TRPA1ANO1IRAK4L3MBTL1HTT
SCHEMBL17110978 0.85 TRPA1 (0.43) TRPA1ANO1IRAK4MAPK8HSD11B1

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-2015144976-A1 TRPA1 MODULATORS ORION CORPORATION (FI) 2015-10-01 WO disclosed