SCHEMBL17590362

SCHEMBL17590362

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

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.60

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
SCHEMBL10055764 0.94 P2RX3 (0.58) P2RX3
SCHEMBL17590586 0.93 P2RX3 (0.60) P2RX3
SCHEMBL17590543 0.91 P2RX3 (0.62) P2RX3
SCHEMBL12047290 0.91 P2RX3 (0.57) P2RX3
SCHEMBL10055328 0.91 P2RX3 (0.57) P2RX3
SCHEMBL17590471 0.90 P2RX3 (0.59) P2RX3
SCHEMBL17590365 0.90 P2RX3 (0.59) P2RX3
SCHEMBL10056318 0.90 P2RX3 (0.59) P2RX3
SCHEMBL10055564 0.90 P2RX3 (0.58) P2RX3
SCHEMBL10056305 0.90 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 3 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
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 — — EP disclosed
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