SCHEMBL21861448

SCHEMBL21861448

CCC(=O)CNC(=O)c1c(N)ncn1[C@@H](C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.45

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
SCHEMBL21861536 0.77 TRPA1 (0.44) TRPA1
SCHEMBL21861443 0.69 — —
SCHEMBL21861602 0.63 TRPA1 (0.41) TRPA1
SCHEMBL19396074 0.62 TRPA1 (1.00) TRPA1
SCHEMBL14006396 0.61 ALDH1A1 (0.43) TRPA1
SCHEMBL841349 0.61 CYP1A2 (0.42) —
SCHEMBL10031592 0.60 KDM4E (0.66) —
SCHEMBL7988189 0.58 ADORA2A (0.42) —
SCHEMBL26200822 0.58 ALDH1A1 (0.36) —
SCHEMBL7985576 0.58 CCNE1 (0.42) —

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
Send feedback