SCHEMBL19185182

SCHEMBL19185182

COC1OC1[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc(OC(C)C)c(C#N)c2)n(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.43

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
SCHEMBL17590692 0.83 P2RX3 (0.62) P2RX3
SCHEMBL19183845 0.83 P2RX3 (0.60) P2RX3
SCHEMBL19185227 0.82 P2RX3 (0.42) P2RX3
SCHEMBL19185061 0.78 P2RX3 (0.40) P2RX3
SCHEMBL19183979 0.77 P2RX3 (0.62) P2RX3
SCHEMBL17590625 0.77 P2RX3 (0.60) P2RX3
SCHEMBL19185185 0.76 P2RX3 (0.42) P2RX3
SCHEMBL19185073 0.74 P2RX3 (0.45) P2RX3
SCHEMBL10057191 0.73 P2RX3 (0.61) P2RX3
SCHEMBL10057238 0.73 P2RX3 (0.59) P2RX3

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
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
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