SCHEMBL10056477

SCHEMBL10056477

O=c1[nH]/c(=N\c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c(=O)n1CC(CO)CO

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.52

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
SCHEMBL17701897 0.93 P2RX3 (0.61) P2RX3
SCHEMBL17701905 0.93 P2RX3 (0.61) P2RX3
SCHEMBL10056097 0.91 P2RX3 (0.59) P2RX3
SCHEMBL17591073 0.89 P2RX3 (0.61) P2RX3
SCHEMBL10057326 0.89 P2RX3 (0.61) P2RX3
SCHEMBL17683988 0.89 P2RX3 (0.59) P2RX3
SCHEMBL16309964 0.89 P2RX3 (0.59) P2RX3
SCHEMBL17683990 0.89 P2RX3 (0.59) P2RX3
SCHEMBL23121523 0.88 P2RX3 (0.62) P2RX3
SCHEMBL17701616 0.88 P2RX3 (0.54) 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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