SCHEMBL15044397

SCHEMBL15044397

COc1cncc(Oc2ccc(/N=c3\[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n3Cc3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.53

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
SCHEMBL15044314 0.94 P2RX3 (0.51) P2RX3
SCHEMBL17701775 0.91 P2RX3 (0.61) P2RX3
SCHEMBL17701716 0.89 P2RX3 (0.63) P2RX3
SCHEMBL17701875 0.89 P2RX3 (0.63) P2RX3
SCHEMBL16309726 0.89 P2RX3 (0.63) P2RX3
SCHEMBL16309752 0.88 P2RX3 (0.63) P2RX3
SCHEMBL10057367 0.88 P2RX3 (0.60) P2RX3
SCHEMBL17701859 0.88 P2RX3 (0.63) P2RX3
SCHEMBL17701774 0.87 P2RX3 (0.62) P2RX3
SCHEMBL17701757 0.87 P2RX3 (0.65) 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
WO-2013089212-A1 SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2013-06-20 — — WO disclosed
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