SCHEMBL17112647

SCHEMBL17112647

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
IRAK4 Q9NWZ3 5/20 0.38
MCHR1 Q99705 3/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
GRM4 Q14833 1/20 0.35
CRHR1 P34998 3/20 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
RORC P51449 1/20 0.33
TNF P01375 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
SCHEMBL15638736 1.00 TRPA1 (0.55) TRPA1IRAK4MCHR1POLBL3MBTL1
SCHEMBL17112605 1.00 TRPA1 (0.55) TRPA1IRAK4MCHR1POLBL3MBTL1
SCHEMBL17112679 0.89 TRPA1 (0.56) TRPA1IRAK4POLBL3MBTL1HTT
SCHEMBL15638540 0.89 TRPA1 (0.56) TRPA1IRAK4POLBL3MBTL1HTT
SCHEMBL17112659 0.89 TRPA1 (0.56) TRPA1IRAK4POLBL3MBTL1HTT
SCHEMBL15635522 0.88 TRPA1 (0.52) TRPA1IRAK4MCHR1GRM4CRHR1
SCHEMBL17110870 0.87 TRPA1 (0.41) TRPA1IRAK4MCHR1POLBL3MBTL1
SCHEMBL17110872 0.87 TRPA1 (0.41) TRPA1IRAK4MCHR1POLBL3MBTL1
SCHEMBL17110926 0.87 TRPA1 (0.41) TRPA1IRAK4MCHR1POLBL3MBTL1
SCHEMBL17110984 0.82 TRPA1 (0.49) TRPA1IRAK4POLBL3MBTL1HTT

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