SCHEMBL10055768

SCHEMBL10055768

COC(=O)[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc(CN)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.49

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
SCHEMBL10055677 0.92 P2RX3 (0.59) P2RX3
SCHEMBL19184161 0.90 P2RX3 (0.60) P2RX3
SCHEMBL10055906 0.89 P2RX3 (0.57) P2RX3
SCHEMBL10056908 0.88 P2RX3 (0.57) P2RX3
SCHEMBL10055883 0.87 P2RX3 (0.58) P2RX3
SCHEMBL12047236 0.87 P2RX3 (0.61) P2RX3
SCHEMBL12047228 0.87 P2RX3 (0.61) P2RX3
SCHEMBL10056914 0.86 P2RX3 (0.60) P2RX3
SCHEMBL10056936 0.86 P2RX3 (0.59) P2RX3
SCHEMBL10055910 0.86 P2RX3 (0.59) 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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