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SCHEMBL17597301

SCHEMBL17597301

CCc1c(-c2ccc3c(c2)cc(CN2CCC2)n3C)[nH]c(=O)c(C(=O)O)c1C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ ENPP2 Q13822 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
SCHEMBL17597837 0.98 MCHR1 (0.34) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597300 0.90 MCHR1 (0.34) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL17597692 0.89 MCHR1 (0.34) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597836 0.89 MCHR1 (0.36) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14740950 0.89 FAAH (0.37) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL17597704 0.89 TLR9 (0.33) MCHR1TLR9TLR7TLR8
SCHEMBL14745440 0.87 MCHR1 (0.39) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14741232 0.84 MCHR1 (0.36) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597691 0.83 MCHR1 (0.35) MCHR1FAAHTLR9TLR7TLR8
Trifluoroacetic Acid SCHEMBL17597703 0.83 MCHR1 (0.34) MCHR1FAAHTLR9TLR7TLR8

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-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 — — WO claimed