SCHEMBL17110894

SCHEMBL17110894

C#C[C@@](C)(CC)NC(=O)c1cc(F)cnc1NC1CCC(F)(F)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
IRAK4 Q9NWZ3 8/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
POLB P06746 1/20 0.35
MAPK8 P45983 1/20 0.33
RORC P51449 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CETP P11597 2/20 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
SCHEMBL17110984 1.00 TRPA1 (0.49) TRPA1IRAK4L3MBTL1HTTANO1
SCHEMBL17110897 1.00 TRPA1 (0.49) TRPA1IRAK4L3MBTL1HTTANO1
SCHEMBL17112615 0.94 TRPA1 (0.46) TRPA1IRAK4L3MBTL1HTTANO1
SCHEMBL17110903 0.94 TRPA1 (0.46) TRPA1IRAK4L3MBTL1HTTANO1
SCHEMBL17110910 0.94 TRPA1 (0.46) TRPA1IRAK4L3MBTL1HTTANO1
SCHEMBL17112679 0.93 TRPA1 (0.56) TRPA1IRAK4L3MBTL1HTTPOLB
SCHEMBL15638540 0.93 TRPA1 (0.56) TRPA1IRAK4L3MBTL1HTTPOLB
SCHEMBL17112659 0.93 TRPA1 (0.56) TRPA1IRAK4L3MBTL1HTTPOLB
SCHEMBL17110980 0.89 TRPA1 (0.45) TRPA1IRAK4ANO1MAPK8RORC
SCHEMBL17112664 0.84 TRPA1 (0.69) TRPA1IRAK4L3MBTL1HTTANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015144977-A1 TRPA1 MODULATORS ORIEN CORPORATION (FI) 2015-10-01 WO claimed
WO-2015144976-A1 TRPA1 MODULATORS ORION CORPORATION (FI) 2015-10-01 WO disclosed
WO-2015144977-A1 TRPA1 MODULATORS ORIEN CORPORATION (FI) 2015-10-01 WO disclosed