SCHEMBL15044329

SCHEMBL15044329

C[C@@H](Cn1c(=O)[nH]/c(=N\c2ccc(Oc3cnc(C#N)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.54

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
SCHEMBL17701713 0.92 P2RX3 (0.62) P2RX3
SCHEMBL15044055 0.88 P2RX3 (0.50) P2RX3
SCHEMBL17701902 0.88 P2RX3 (0.63) P2RX3
SCHEMBL16309936 0.88 P2RX3 (0.62) P2RX3
SCHEMBL17590788 0.88 P2RX3 (0.60) P2RX3
SCHEMBL17701736 0.87 P2RX3 (0.65) P2RX3
SCHEMBL19730296 0.87 P2RX3 (0.65) P2RX3
SCHEMBL17701889 0.87 P2RX3 (0.65) P2RX3
SCHEMBL16309726 0.87 P2RX3 (0.63) P2RX3
SCHEMBL17701646 0.87 P2RX3 (0.63) 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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