SCHEMBL10056930

SCHEMBL10056930

CCCOc1ccc(/N=c2\[nH]c(=O)n(CCCC(=O)O)c(=O)n2Cc2ccc(C)cc2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 19/20 0.58
▸ PPARG P37231 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL10055780 0.96 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL10056932 0.93 P2RX3 (0.57) P2RX3
SCHEMBL10056314 0.93 P2RX3 (0.60) P2RX3
SCHEMBL10055779 0.89 P2RX3 (0.54) P2RX3
SCHEMBL10055473 0.89 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL12047350 0.88 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL10056319 0.87 P2RX3 (0.58) P2RX3
SCHEMBL17590353 0.86 P2RX3 (0.59) P2RX3
SCHEMBL19184400 0.86 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL10055212 0.85 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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