SCHEMBL10055854

SCHEMBL10055854

CC(C)n1c(=O)nc(Nc2ccc(C(=O)O)cc2)n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.81

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
SCHEMBL12046388 0.91 P2RX3 (0.83) P2RX3
SCHEMBL9983064 0.90 P2RX3 (0.81) P2RX3
SCHEMBL12046515 0.90 P2RX3 (1.00) P2RX3
SCHEMBL17590244 0.88 P2RX3 (0.76) P2RX3
SCHEMBL12046390 0.87 P2RX3 (0.77) P2RX3
SCHEMBL10055331 0.84 P2RX3 (0.82) P2RX3
SCHEMBL12046380 0.84 P2RX3 (0.78) P2RX3
SCHEMBL12046465 0.84 P2RX3 (0.72) P2RX3
SCHEMBL10056021 0.84 P2RX3 (0.72) P2RX3
SCHEMBL12046252 0.83 P2RX3 (1.00) 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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