SCHEMBL16503976

SCHEMBL16503976

CC(C)Oc1ccc(/N=c2\[nH]c(=O)n(C[C@H](C)C(=O)N=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F

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
SCHEMBL12047196 0.92 P2RX3 (0.59) P2RX3
SCHEMBL12047195 0.92 P2RX3 (0.59) P2RX3
SCHEMBL15039756 0.91 P2RX3 (0.50) P2RX3
SCHEMBL12047191 0.90 P2RX3 (0.60) P2RX3
SCHEMBL12047207 0.90 P2RX3 (0.60) P2RX3
SCHEMBL19184142 0.87 P2RX3 (0.60) P2RX3
SCHEMBL16314800 0.86 P2RX3 (0.50) P2RX3
SCHEMBL10055153 0.86 P2RX3 (0.60) P2RX3
SCHEMBL12047152 0.86 P2RX3 (0.58) P2RX3
SCHEMBL10055198 0.86 P2RX3 (0.58) 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
EP-2399910-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-12-28 — — EP disclosed
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