SCHEMBL17112679

SCHEMBL17112679

C#C[C@@](C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)(F)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
IRAK4 Q9NWZ3 8/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM4 Q14833 2/20 0.33
RORC P51449 1/20 0.33
TNF P01375 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15638540 1.00 TRPA1 (0.56) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112659 1.00 TRPA1 (0.56) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110984 0.93 TRPA1 (0.49) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110897 0.93 TRPA1 (0.49) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110894 0.93 TRPA1 (0.49) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110910 0.90 TRPA1 (0.46) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17110903 0.90 TRPA1 (0.46) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112615 0.90 TRPA1 (0.46) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112605 0.89 TRPA1 (0.55) TRPA1L3MBTL1HTTPOLBIRAK4
SCHEMBL17112647 0.89 TRPA1 (0.55) TRPA1L3MBTL1HTTPOLBIRAK4

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