SCHEMBL21393417

SCHEMBL21393417

Cn1cnc2nc(NC3COC3)n(C)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
SYK P43405 17/20 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
SCHEMBL21363533 0.86 TRPA1 (0.47) TRPA1SYK
SCHEMBL21363489 0.85 TRPA1 (0.44) TRPA1SYK
SCHEMBL21393345 0.78 TRPA1 (0.39) TRPA1SYK
SCHEMBL21363535 0.73 TRPA1 (0.46) TRPA1SYK
SCHEMBL21367881 0.67 ADORA2B (0.40)
SCHEMBL20203174 0.64 ADORA2A (0.48) TRPA1
SCHEMBL21363503 0.61 TRPA1 (0.42) TRPA1SYK
SCHEMBL25165801 0.61 PDE4A (0.46) TRPA1
SCHEMBL21363377 0.61 TRPA1 (0.36) TRPA1
SCHEMBL21367842 0.60 TRPA1 (0.33) 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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed