SCHEMBL4348708

SCHEMBL4348708

CCOc1ccc(CCNc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.59

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
SCHEMBL2848786 0.92 P2RX3 (0.67) P2RX3
SCHEMBL2846526 0.92 P2RX3 (0.64) P2RX3
SCHEMBL4351809 0.91 P2RX3 (0.70) P2RX3
SCHEMBL4355255 0.89 P2RX3 (0.56) P2RX3
SCHEMBL4344498 0.88 P2RX3 (0.66) P2RX3
SCHEMBL4347403 0.88 P2RX3 (0.66) P2RX3
SCHEMBL2847636 0.88 P2RX3 (0.66) P2RX3
SCHEMBL2849770 0.88 P2RX3 (0.65) P2RX3
SCHEMBL4348277 0.87 P2RX3 (0.66) P2RX3
SCHEMBL4346177 0.86 P2RX3 (0.62) 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