SCHEMBL10056321

SCHEMBL10056321

Cc1cc(/N=c2\[nH]c(=O)n(CCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)ccc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.58
▸ P2RX2 Q9UBL9 1/20 0.46

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
SCHEMBL10057100 0.95 P2RX3 (0.59) P2RX3
SCHEMBL10056338 0.94 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL10056876 0.92 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL10055624 0.92 P2RX3 (0.53) P2RX3
SCHEMBL10057016 0.91 P2RX3 (0.60) P2RX3
SCHEMBL15015949 0.91 P2RX3 (0.59) P2RX3
SCHEMBL15015950 0.91 P2RX3 (0.59) P2RX3
SCHEMBL15081120 0.91 P2RX3 (0.59) P2RX3
SCHEMBL10057002 0.91 P2RX3 (0.53) P2RX3
SCHEMBL12047360 0.89 P2RX3 (0.59) P2RX3P2RX2

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
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 — — WO disclosed
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