SCHEMBL4338835

SCHEMBL4338835

CC[C@@H](Nc1ncnc2c1CN(c1ccc(C)cn1)CC2)c1ccc(C)nc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.82

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
SCHEMBL1000164 0.90 P2RX3 (1.00) P2RX3
SCHEMBL1000162 0.90 P2RX3 (1.00) P2RX3
SCHEMBL997921 0.89 P2RX3 (1.00) P2RX3
SCHEMBL997262 0.89 P2RX3 (1.00) P2RX3
SCHEMBL998086 0.89 P2RX3 (1.00) P2RX3
SCHEMBL4355294 0.89 P2RX3 (0.83) P2RX3
SCHEMBL999407 0.81 P2RX3 (1.00) P2RX3
SCHEMBL999414 0.81 P2RX3 (1.00) P2RX3
SCHEMBL998519 0.81 P2RX3 (1.00) P2RX3
SCHEMBL1048702 0.81 P2RX3 (1.00) P2RX3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP claimed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO claimed