SCHEMBL17619786

SCHEMBL17619786

Cc1cc(Cn2c(=O)c3c(n(C)c2=O)NCN3[C@@H](C)C(N)=O)no1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.58
PARG Q86W56 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL17619869 0.85 TRPA1 (0.57) TRPA1
SCHEMBL17619778 0.83 TRPA1 (0.56) TRPA1PARGGRIN1GRIN2B
SCHEMBL17619749 0.82 TRPA1 (0.57) TRPA1PARGGRIN1GRIN2B
SCHEMBL17619988 0.76 TRPA1 (0.52) TRPA1
SCHEMBL21861722 0.74 TRPA1 (0.51) TRPA1
SCHEMBL19396062 0.74 TRPA1 (1.00) TRPA1
SCHEMBL17619775 0.71 TRPA1 (0.56) TRPA1PARGGRIN1GRIN2B
SCHEMBL20011251 0.70 TRPA1 (0.36) TRPA1PARGGRIN1GRIN2B
SCHEMBL17619616 0.69 TRPA1 (0.53) TRPA1PARGGRIN1GRIN2B
SCHEMBL17620157 0.68 TRPA1 (0.54) TRPA1PARGGRIN1GRIN2B

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