SCHEMBL21243021

SCHEMBL21243021

CC(=O)NC(=O)Cn1c(=O)c2c(ncn2C(C)C(=O)Nc2cccc(-c3cnc(C(F)(F)F)nc3)n2)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 1.00

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
SCHEMBL21242776 1.00 TRPA1 (1.00) TRPA1
SCHEMBL17609539 0.93 TRPA1 (0.86) TRPA1
SCHEMBL17609541 0.93 TRPA1 (0.86) TRPA1
SCHEMBL17610056 0.93 TRPA1 (1.00) TRPA1
SCHEMBL17610052 0.93 TRPA1 (1.00) TRPA1
SCHEMBL21242797 0.91 TRPA1 (1.00) TRPA1
SCHEMBL21242806 0.91 TRPA1 (1.00) TRPA1
SCHEMBL21242939 0.91 TRPA1 (1.00) TRPA1
SCHEMBL17610086 0.91 TRPA1 (1.00) TRPA1
SCHEMBL17610085 0.91 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
WO-2019152465-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY (US) 2019-08-08 — — WO disclosed
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