SCHEMBL16309809

SCHEMBL16309809

Cc1ccc(Cn2c(=O)n(C[C@H](C)C(=O)I)c(=O)[nH]/c2=N\c2ccc(Oc3ccc(C)cn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.52

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
SCHEMBL16309932 0.93 P2RX3 (0.61) P2RX3
SCHEMBL17701617 0.93 P2RX3 (0.53) P2RX3
SCHEMBL16309812 0.91 P2RX3 (0.63) P2RX3
SCHEMBL16309936 0.89 P2RX3 (0.62) P2RX3
SCHEMBL17701680 0.88 P2RX3 (0.63) P2RX3
SCHEMBL16309967 0.88 P2RX3 (0.63) P2RX3
SCHEMBL17701698 0.88 P2RX3 (0.63) P2RX3
SCHEMBL17701613 0.88 P2RX3 (0.55) P2RX3
SCHEMBL16309927 0.87 P2RX3 (0.64) P2RX3
SCHEMBL16309990 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-2014200078-A1 AMINO-TRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES 塩野義製薬株式会社 (JP) 2014-12-18 — — WO disclosed
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