SCHEMBL20203383

SCHEMBL20203383

Cn1cnc2ncn(CC(=N)OC(=O)NCCc3ccc(C(F)(F)F)cc3)c(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.50
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20203300 0.88 TRPA1 (0.48) TRPA1KMT2A
SCHEMBL20203299 0.86 TRPA1 (0.49) TRPA1KMT2A
SCHEMBL23718270 0.82 TRPA1 (0.52) TRPA1
SCHEMBL20203239 0.79 TRPA1 (0.54) TRPA1
SCHEMBL20203409 0.78 TRPA1 (0.52) TRPA1
SCHEMBL20203241 0.73 RXFP1 (0.39) TRPA1
SCHEMBL20203276 0.72 TRPA1 (0.41) TRPA1
SCHEMBL23718276 0.71 TRPA1 (0.50) TRPA1MEN1KMT2A
SCHEMBL20203209 0.68 TRPA1 (0.65) TRPA1
SCHEMBL2695790 0.68 TRPA1 (0.52) 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-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed