SCHEMBL10055722

SCHEMBL10055722

Cc1ccc(Cn2c(=O)n(CCC(=O)O)c(=O)[nH]/c2=N\c2ccc(OC3CC3)c(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 19/20 0.59
▸ P2RX2 Q9UBL9 1/20 0.45
▸ KMO O15229 1/20 0.42

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
SCHEMBL19184227 0.97 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL10055553 0.92 P2RX3 (0.60) P2RX3
SCHEMBL10055212 0.90 P2RX3 (0.59) P2RX3P2RX2KMO
SCHEMBL19184011 0.90 P2RX3 (0.59) P2RX3KMO
SCHEMBL10055473 0.90 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL17590811 0.90 P2RX3 (0.62) P2RX3
SCHEMBL10056357 0.89 P2RX3 (0.60) P2RX3
SCHEMBL16315079 0.89 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL15015886 0.88 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL15015887 0.88 P2RX3 (0.58) 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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