SCHEMBL8107988

SCHEMBL8107988

Cc1ccc(N2CCc3ncnc(NCc4cnc(C)nc4)c3C2)c(N)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.78
P2RX2 Q9UBL9 20/20 0.78

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
SCHEMBL8095174 0.92 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL2862875 0.88 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8107275 0.87 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8102898 0.86 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL8106984 0.85 P2RX3 (0.79) P2RX3P2RX2
SCHEMBL8100458 0.84 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8107469 0.83 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8101263 0.82 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL12951990 0.82 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL8096153 0.82 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