SCHEMBL5708632

SCHEMBL5708632

CC(C)c1cc(Cl)ncc1CC=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL4648511 0.77 PDXK (0.38) P2RX3P2RX2DHFR
SCHEMBL26632902 0.77
SCHEMBL18343010 0.76 KAT2B (0.35)
SCHEMBL5708643 0.75 DHFR (0.33) P2RX3P2RX2DHFR
SCHEMBL23064182 0.74 ALDH1A1 (0.32)
SCHEMBL4648722 0.74 TYR (0.33)
SCHEMBL23970881 0.73 GABRA1 (0.39) P2RX3P2RX2
SCHEMBL21598749 0.73 ALDH1A1 (0.41)
SCHEMBL4649636 0.72 PDCD1LG2 (0.35) P2RX3P2RX2DHFR
SCHEMBL2185134 0.70

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-1718613-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080342-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 WO disclosed