SCHEMBL15044335

SCHEMBL15044335

C[C@@H](Cn1c(=O)[nH]/c(=N\c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.64

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
SCHEMBL16309974 0.94 P2RX3 (0.64) P2RX3
SCHEMBL16310017 0.94 P2RX3 (0.64) P2RX3
SCHEMBL16309928 0.93 P2RX3 (0.66) P2RX3
SCHEMBL16309911 0.92 P2RX3 (0.63) P2RX3
SCHEMBL15043833 0.92 P2RX3 (0.55) P2RX3
SCHEMBL16309972 0.91 P2RX3 (0.65) P2RX3
SCHEMBL16309891 0.90 P2RX3 (0.65) P2RX3
SCHEMBL15043834 0.89 P2RX3 (0.54) P2RX3
SCHEMBL16309855 0.89 P2RX3 (0.65) P2RX3
SCHEMBL17701872 0.89 P2RX3 (0.64) 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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