SCHEMBL19185227

SCHEMBL19185227

COC1OC1[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc3nc(C)ccc3c2)n(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 19/20 0.42
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL10055246 0.83 P2RX3 (0.62) P2RX3
SCHEMBL19185182 0.82 P2RX3 (0.43) P2RX3
SCHEMBL10055351 0.82 P2RX3 (0.59) P2RX3
SCHEMBL19185061 0.78 P2RX3 (0.40) P2RX3
SCHEMBL10056900 0.77 P2RX3 (0.62) P2RX3
SCHEMBL19185073 0.77 P2RX3 (0.45) P2RX3
SCHEMBL10056300 0.76 P2RX3 (0.60) P2RX3
SCHEMBL10056079 0.76 P2RX3 (0.63) P2RX3
SCHEMBL19185185 0.76 P2RX3 (0.42) P2RX3
SCHEMBL19185038 0.75 P2RX3 (0.38) 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
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
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