SCHEMBL8096807

SCHEMBL8096807

Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(O)c(O)c4)c3C2)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.61
P2RX2 Q9UBL9 15/20 0.61

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
SCHEMBL8101295 1.00 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL15089432 0.89 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL8112262 0.87 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8100479 0.86 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8093421 0.86 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8113730 0.84 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL8096759 0.83 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8108187 0.82 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL8102898 0.81 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL8097329 0.78 P2RX3 (0.80) 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