SCHEMBL17590657

SCHEMBL17590657

CC(C)Cc1ccc(/N=c2\[nH]c(=O)n(CC(C)C(=O)O)c(=O)n2Cc2ccc(Cl)cn2)cc1Cl

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
SCHEMBL19184032 1.00 P2RX3 (0.60) P2RX3
SCHEMBL10055951 0.88 P2RX3 (0.56) P2RX3
SCHEMBL17590883 0.86 P2RX3 (0.61) P2RX3
SCHEMBL10057096 0.85 P2RX3 (0.63) P2RX3
SCHEMBL10055918 0.84 P2RX3 (0.57) P2RX3
SCHEMBL19185318 0.84 P2RX3 (0.56) P2RX3
SCHEMBL10056942 0.81 P2RX3 (0.57) P2RX3
SCHEMBL10056407 0.80 P2RX3 (0.57) P2RX3
SCHEMBL17590817 0.80 P2RX3 (0.49) P2RX3
SCHEMBL10055677 0.80 P2RX3 (0.59) 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
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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