SCHEMBL21861501

SCHEMBL21861501

CC1CCN(c2ncc(-c3nc(NC(=O)C(C)n4cnc5c4c(=O)n(CC#N)c(=O)n5C)cs3)cn2)C1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.83

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
SCHEMBL19399987 0.93 TRPA1 (0.83) TRPA1
SCHEMBL19399960 0.91 TRPA1 (0.83) TRPA1
SCHEMBL17609654 0.91 TRPA1 (1.00) TRPA1
SCHEMBL19399970 0.91 TRPA1 (0.69) TRPA1
SCHEMBL21609651 0.90 TRPA1 (0.82) TRPA1
SCHEMBL21609629 0.90 TRPA1 (0.82) TRPA1
SCHEMBL21527540 0.89 TRPA1 (0.83) TRPA1
SCHEMBL17609682 0.89 TRPA1 (1.00) TRPA1
SCHEMBL19396185 0.89 TRPA1 (0.92) TRPA1
SCHEMBL19399904 0.88 TRPA1 (0.84) 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-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 — — EP disclosed
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