SCHEMBL20203209

SCHEMBL20203209

Cn1cnc2ncn(CC(=N)OC(=O)NCc3nc4ncn(Cc5nn(CCc6ccc(Cl)cc6)c(=O)o5)c(=O)c4n3C)c(=O)c21

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.65

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
SCHEMBL20187521 0.81 TRPA1 (1.00) TRPA1
SCHEMBL20187487 0.74 TRPA1 (1.00) TRPA1
SCHEMBL20187451 0.73 TRPA1 (1.00) TRPA1
SCHEMBL20203205 0.73 TRPA1 (1.00) TRPA1
SCHEMBL20187550 0.73 TRPA1 (1.00) TRPA1
SCHEMBL20187608 0.72 TRPA1 (1.00) TRPA1
SCHEMBL20203281 0.72 TRPA1 (1.00) TRPA1
SCHEMBL20203322 0.72 TRPA1 (1.00) TRPA1
SCHEMBL20187615 0.71 TRPA1 (1.00) TRPA1
SCHEMBL20203282 0.71 TRPA1 (1.00) TRPA1

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-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed