SCHEMBL20187443

SCHEMBL20187443

Cc1ccnc2ncn(Cc3cn[n+]([O-])o3)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.46

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
SCHEMBL20187536 0.70 TRPA1 (0.53) TRPA1
SCHEMBL23718289 0.69 TRPA1 (0.48) TRPA1
SCHEMBL20187454 0.66 POLB (0.47) TRPA1
SCHEMBL23718222 0.66 TRPA1 (0.42) TRPA1
SCHEMBL22194603 0.63 TRPA1 (0.73) TRPA1
SCHEMBL22194600 0.63 TRPA1 (0.73) TRPA1
SCHEMBL22194604 0.63 TRPA1 (0.73) TRPA1
SCHEMBL22194729 0.63 TRPA1 (1.00) TRPA1
SCHEMBL22195018 0.62 TRPA1 (1.00) TRPA1
SCHEMBL22195020 0.62 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544979-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-02 EP disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed