SCHEMBL5708643

SCHEMBL5708643

CC(C)c1cc(Cl)ncc1CCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
TKT P29401 1/20 0.32
RECQL P46063 1/20 0.31
LMNA P02545 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 0.86 PDXK (0.38) DHFRGABRA1GABRB1P2RX3P2RX2
SCHEMBL16879557 0.76 RECQL (0.35) RECQL
SCHEMBL23970881 0.75 GABRA1 (0.39) GABRA1GABRB1P2RX3P2RX2LMNA
SCHEMBL5708632 0.75 P2RX3 (0.31) DHFRP2RX3P2RX2
SCHEMBL38666717 0.74 PDXK (0.40) GABRA1GABRB1RECQLLMNA
SCHEMBL4649636 0.73 PDCD1LG2 (0.35) DHFRP2RX3P2RX2
SCHEMBL4648719 0.72 GABRA1 (0.39) GABRA1GABRB1LMNA
SCHEMBL2737360 0.71 GABRA1 (0.37) GABRA1GABRB1P2RX3P2RX2LMNA
SCHEMBL18353218 0.71 GABRA1 (0.39) GABRA1GABRB1P2RX3P2RX2LMNA
SCHEMBL2738317 0.70 LMNA (0.40) DHFRGABRA1GABRB1LMNA

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