SCHEMBL19185073

SCHEMBL19185073

COC1OC1[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc(CCC3CC3)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.45

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
SCHEMBL17590405 0.85 P2RX3 (0.62) P2RX3
SCHEMBL10055371 0.85 P2RX3 (0.62) P2RX3
SCHEMBL10055306 0.84 P2RX3 (0.60) P2RX3
SCHEMBL19185227 0.77 P2RX3 (0.42) P2RX3
SCHEMBL10055648 0.76 P2RX3 (0.60) P2RX3
SCHEMBL19185098 0.75 P2RX3 (0.46) P2RX3
SCHEMBL10055883 0.75 P2RX3 (0.58) P2RX3
SCHEMBL19231944 0.75 P2RX3 (0.47) P2RX3
SCHEMBL19185061 0.74 P2RX3 (0.40) P2RX3
SCHEMBL19185182 0.74 P2RX3 (0.43) 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
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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