SCHEMBL10055779

SCHEMBL10055779

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

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.54

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
SCHEMBL10056314 0.95 P2RX3 (0.60) P2RX3
SCHEMBL19183887 0.94 P2RX3 (0.57) P2RX3
SCHEMBL10055780 0.92 P2RX3 (0.53) P2RX3
SCHEMBL10055522 0.90 P2RX3 (0.60) P2RX3
SCHEMBL15016040 0.89 P2RX3 (0.60) P2RX3
SCHEMBL15040057 0.89 P2RX3 (0.60) P2RX3
SCHEMBL10056930 0.89 P2RX3 (0.58) P2RX3
SCHEMBL15016041 0.89 P2RX3 (0.60) P2RX3
SCHEMBL10056319 0.89 P2RX3 (0.58) P2RX3
SCHEMBL10055553 0.89 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
Send feedback