SCHEMBL10057113

SCHEMBL10057113

CC(C)OCc1ccc(/N=c2\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.56

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
SCHEMBL17590496 0.92 P2RX3 (0.56) P2RX3
SCHEMBL19184141 0.91 P2RX3 (0.59) P2RX3
SCHEMBL17684033 0.91 P2RX3 (0.45) P2RX3
SCHEMBL17684031 0.91 P2RX3 (0.45) P2RX3
SCHEMBL17684034 0.91 P2RX3 (0.45) P2RX3
SCHEMBL10056236 0.90 P2RX3 (0.58) P2RX3
SCHEMBL12047284 0.90 P2RX3 (0.58) P2RX3
SCHEMBL10056318 0.87 P2RX3 (0.59) P2RX3
SCHEMBL10057120 0.87 P2RX3 (0.47) P2RX3
SCHEMBL19184139 0.87 P2RX3 (0.55) 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
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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