SCHEMBL17590692

SCHEMBL17590692

COC(=O)[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 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.62

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
SCHEMBL19183979 0.94 P2RX3 (0.62) P2RX3
SCHEMBL19183845 0.92 P2RX3 (0.60) P2RX3
SCHEMBL10057191 0.90 P2RX3 (0.61) P2RX3
SCHEMBL10057018 0.90 P2RX3 (0.59) P2RX3
SCHEMBL10057235 0.89 P2RX3 (0.60) P2RX3
SCHEMBL10057244 0.89 P2RX3 (0.62) P2RX3
SCHEMBL19183930 0.89 P2RX3 (0.60) P2RX3
SCHEMBL10055332 0.88 P2RX3 (0.55) P2RX3
SCHEMBL15015865 0.88 P2RX3 (0.60) P2RX3
SCHEMBL15015863 0.88 P2RX3 (0.60) 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 3 patents. 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
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 — — EP disclosed
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