SCHEMBL17590506

SCHEMBL17590506

Cc1ccc(Cn2c(=O)n(C[C@H](I)CO)c(=O)[nH]/c2=N\c2ccc(CC(C)C)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.48

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
SCHEMBL19184042 0.92 P2RX3 (0.57) P2RX3
SCHEMBL10055918 0.88 P2RX3 (0.57) P2RX3
SCHEMBL10055356 0.87 P2RX3 (0.57) P2RX3
SCHEMBL10055915 0.86 P2RX3 (0.59) P2RX3
SCHEMBL10055411 0.84 P2RX3 (0.57) P2RX3
SCHEMBL19184020 0.83 P2RX3 (0.58) P2RX3
SCHEMBL19183940 0.82 P2RX3 (0.58) P2RX3
SCHEMBL10055951 0.82 P2RX3 (0.56) P2RX3
SCHEMBL10055350 0.82 P2RX3 (0.59) P2RX3
SCHEMBL17590870 0.81 P2RX3 (0.60) 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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