SCHEMBL20203396

SCHEMBL20203396

C=Nc1ncc(C)c2c(=O)n(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)cnc12

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.81

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
SCHEMBL20203363 0.89 TRPA1 (1.00) TRPA1
SCHEMBL20187446 0.85 TRPA1 (1.00) TRPA1
SCHEMBL20187635 0.84 TRPA1 (1.00) TRPA1
SCHEMBL29434778 0.81 TRPA1 (1.00) TRPA1
SCHEMBL20187549 0.81 TRPA1 (1.00) TRPA1
SCHEMBL20187528 0.79 TRPA1 (1.00) TRPA1
SCHEMBL21367583 0.79 TRPA1 (0.60) TRPA1
SCHEMBL20189034 0.78 TRPA1 (1.00) TRPA1
SCHEMBL20187521 0.75 TRPA1 (1.00) TRPA1
SCHEMBL20187542 0.75 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