SCHEMBL23718323

SCHEMBL23718323

Cc1ccnc2ncn(CC3=NN(C[C@H](F)c4ccc(OC(F)F)cc4)C(=O)C3)c(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.64

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
SCHEMBL20203320 0.78 TRPA1 (1.00) TRPA1
SCHEMBL21354120 0.78 TRPA1 (1.00) TRPA1
SCHEMBL23718437 0.72 TRPA1 (0.50) TRPA1
SCHEMBL22194525 0.68 TRPA1 (1.00) TRPA1
SCHEMBL22194527 0.68 TRPA1 (1.00) TRPA1
SCHEMBL22210524 0.67 TRPA1 (0.78) TRPA1
SCHEMBL20187589 0.66 TRPA1 (1.00) TRPA1
SCHEMBL20203317 0.63 TRPA1 (1.00) TRPA1
SCHEMBL21354185 0.63 TRPA1 (1.00) TRPA1
SCHEMBL21354124 0.61 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
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed