SCHEMBL19184141

SCHEMBL19184141

COC(=O)[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc(COC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.59

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
SCHEMBL17590508 0.93 P2RX3 (0.57) P2RX3
SCHEMBL10055636 0.93 P2RX3 (0.57) P2RX3
SCHEMBL17683889 0.92 P2RX3 (0.49) P2RX3
SCHEMBL17683891 0.92 P2RX3 (0.49) P2RX3
SCHEMBL17683890 0.92 P2RX3 (0.49) P2RX3
SCHEMBL10057113 0.91 P2RX3 (0.56) P2RX3
SCHEMBL12047280 0.90 P2RX3 (0.60) P2RX3
SCHEMBL10055876 0.88 P2RX3 (0.58) P2RX3
SCHEMBL10055501 0.88 P2RX3 (0.58) P2RX3
SCHEMBL10055437 0.88 P2RX3 (0.61) 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 2 patents. 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
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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