SCHEMBL8096759

SCHEMBL8096759

COc1ncc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cc2N)CC3)cn1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.80
P2RX2 Q9UBL9 15/20 0.80

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
SCHEMBL8093421 0.91 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8100479 0.91 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8094929 0.90 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL4759559 0.89 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4759888 0.89 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8105119 0.88 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL8101295 0.83 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL8096807 0.83 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL8112262 0.82 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8096800 0.82 P2RX3 (0.79) P2RX3P2RX2

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-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed