SCHEMBL8096754

SCHEMBL8096754

Nc1cc(Cl)ccc1N1CCc2ncnc(NCc3ccn4ccnc4c3)c2C1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.80
P2RX2 Q9UBL9 20/20 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
SCHEMBL8100458 0.90 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL2874804 0.89 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2877600 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8104653 0.79 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8106984 0.74 P2RX3 (0.79) P2RX3P2RX2
SCHEMBL8088154 0.74 KDM4E (0.47) P2RX3P2RX2
SCHEMBL8102892 0.73 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL2858106 0.73 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8107988 0.73 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8097905 0.73 KDM4E (0.46) 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