SCHEMBL15062835

SCHEMBL15062835

COc1ncccc1CNc1ncnc2c1CN(c1ccc(C)cc1C#N)CC2

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.72
P2RX2 Q9UBL9 20/20 0.72

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
SCHEMBL2860315 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2864313 0.82 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2864368 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2866910 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2856920 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2874118 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2862875 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2859985 0.80 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL9896206 0.79 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2857269 0.79 P2RX3 (1.00) 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
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed