SCHEMBL4348289

SCHEMBL4348289

C[C@](I)(Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.64

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
SCHEMBL997350 0.78 P2RX3 (1.00) P2RX3
SCHEMBL997348 0.78 P2RX3 (1.00) P2RX3
SCHEMBL4346635 0.76 P2RX3 (0.63) P2RX3
SCHEMBL997980 0.76 P2RX3 (0.61) P2RX3
SCHEMBL997507 0.75 P2RX3 (0.60) P2RX3
SCHEMBL1046238 0.75 P2RX3 (0.61) P2RX3
SCHEMBL12951995 0.74 P2RX3 (0.90) P2RX3
SCHEMBL997285 0.74 P2RX3 (0.59) P2RX3
SCHEMBL12973619 0.73 P2RX3 (0.66) P2RX3
SCHEMBL4355291 0.73 SOS1 (0.34) 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 disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed