SCHEMBL19791887

SCHEMBL19791887

O=C=Nc1cc2c(c3c1CCC3)C=CC2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL20634525 0.80
SCHEMBL30120778 0.78 CYP3A4 (0.36) TRPA1CYP3A4
SCHEMBL19791885 0.78 CYP3A4 (0.36) TRPA1CYP3A4
SCHEMBL19791889 0.76 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL22012689 0.67 PARP1 (0.32) TRPA1CYP3A4
SCHEMBL24922429 0.66 NLRP3 (0.32)
SCHEMBL6867779 0.65 TRPA1 (0.33) TRPA1CYP3A4
SCHEMBL11103476 0.65 CYP3A4 (0.46) TRPA1CYP3A4
SCHEMBL20635061 0.65
SCHEMBL19791775 0.65 TRPA1 (0.32) TRPA1CYP3A4

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-3272739-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY NodThera Limited (GB) 2018-01-24 EP disclosed