SCHEMBL10057002

SCHEMBL10057002

COc1cc(/N=c2\[nH]c(=O)n(CCC(=O)O)c(=O)n2Cc2ccc(Cl)cc2)ccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 19/20 0.53
▸ TP53 P04637 1/20 0.44

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
SCHEMBL10055816 0.93 P2RX3 (0.61) P2RX3
SCHEMBL10056876 0.91 P2RX3 (0.59) P2RX3
SCHEMBL10056321 0.91 P2RX3 (0.58) P2RX3
SCHEMBL10056474 0.91 P2RX3 (0.59) P2RX3
SCHEMBL10055699 0.90 P2RX3 (0.63) P2RX3
SCHEMBL15015949 0.90 P2RX3 (0.59) P2RX3
SCHEMBL15081120 0.90 P2RX3 (0.59) P2RX3
SCHEMBL15015950 0.90 P2RX3 (0.59) P2RX3
SCHEMBL10057379 0.89 P2RX3 (0.60) P2RX3TP53
SCHEMBL10057045 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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