SCHEMBL19184331

SCHEMBL19184331

O=c1[nH]/c(=N\c2ccc(OCC3CC3)cc2)n(Cc2ccc(Cl)cc2)c(=O)n1C[C@H](O)CO

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
SCHEMBL17590588 0.92 P2RX3 (0.58) P2RX3
SCHEMBL10055532 0.86 P2RX3 (0.60) P2RX3
SCHEMBL17590579 0.86 P2RX3 (0.60) P2RX3
SCHEMBL15081073 0.86 P2RX3 (0.52) P2RX3
SCHEMBL10055453 0.86 P2RX3 (0.58) P2RX3
SCHEMBL19183962 0.86 P2RX3 (0.61) P2RX3
SCHEMBL17590400 0.86 P2RX3 (0.61) P2RX3
SCHEMBL10055592 0.85 P2RX3 (0.49) P2RX3
SCHEMBL19184124 0.84 P2RX3 (0.59) P2RX3
SCHEMBL10055594 0.84 P2RX3 (0.58) 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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