SCHEMBL17620157

SCHEMBL17620157

Cc1cc(Cn2c(=O)c(N)c(N)n(C)c2=O)no1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.54
GRIN1 Q05586 8/20 0.49
GRIN2B Q13224 8/20 0.49
PARG Q86W56 3/20 0.47
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
GABRA5 P31644 2/20 0.44
GABRA1 P14867 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
FEN1 P39748 1/20 0.40
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39

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
SCHEMBL17620010 0.79 TRPA1 (0.57) TRPA1GRIN1GRIN2BPARGGABRA5
SCHEMBL17619775 0.78 TRPA1 (0.56) TRPA1GRIN1GRIN2BPARGGABRA5
SCHEMBL17619754 0.77 TRPA1 (0.51) TRPA1GRIN1GRIN2B
SCHEMBL17609714 0.76 ADORA2B (0.59) TRPA1GRIN1GRIN2BMAPT
SCHEMBL17619608 0.74 TRPA1 (0.52) TRPA1GRIN1GRIN2BPARGMAPT
SCHEMBL14969156 0.71 TRPA1 (0.49) TRPA1GRIN1GRIN2BPARGMAPT
SCHEMBL17619605 0.70 TRPA1 (1.00) TRPA1
SCHEMBL17619749 0.70 TRPA1 (0.57) TRPA1GRIN1GRIN2BPARGGABRA5
SCHEMBL20129922 0.69 GRIN1 (0.65) TRPA1GRIN1GRIN2BPARGGABRA5
SCHEMBL29636008 0.69 GRIN1 (0.65) TRPA1GRIN1GRIN2BPARGGABRA5

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-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 WO disclosed