SCHEMBL10057221

SCHEMBL10057221

CCCc1ccc(/N=c2\[nH]c(=O)n(C[C@H](C)C(=O)OC)c(=O)n2Cc2ccc(C)cc2)cc1C

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
SCHEMBL10055648 0.94 P2RX3 (0.60) P2RX3
SCHEMBL19184000 0.93 P2RX3 (0.60) P2RX3
SCHEMBL10057001 0.92 P2RX3 (0.62) P2RX3
SCHEMBL10056962 0.91 P2RX3 (0.59) P2RX3
SCHEMBL10055676 0.91 P2RX3 (0.57) P2RX3
SCHEMBL10055883 0.88 P2RX3 (0.58) P2RX3
SCHEMBL10057018 0.87 P2RX3 (0.59) P2RX3
SCHEMBL17590477 0.86 P2RX3 (0.61) P2RX3
SCHEMBL10055650 0.86 P2RX3 (0.60) P2RX3
SCHEMBL10056382 0.85 P2RX3 (0.56) 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
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 — — WO disclosed
Send feedback