SCHEMBL4649775

SCHEMBL4649775

CC(C)c1cc(Nc2ccc(Cl)c(Cl)c2)ncc1CN(C)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.40
CCR2 P41597 1/20 0.38
CHEK1 O14757 1/20 0.37
NTRK1 P04629 1/20 0.37
FYN P06241 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CDK8 P49336 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL4649624 0.84 CNR2 (0.42) CNR2CHEK1NTRK1FYNRET
SCHEMBL4649631 0.83 CNR2 (0.56) CNR2CDK5POLB
SCHEMBL4649692 0.82 CNR2 (0.50) CNR2CHEK1NTRK1FYNRET
SCHEMBL4649071 0.82 CNR2 (0.37) CNR2FLT3JAK3CYP1A2CYP2C9
SCHEMBL4649780 0.82 CNR2 (0.37) CNR2CHEK1NTRK1FYNRET
SCHEMBL4649776 0.80 CNR2 (0.50) CNR2CHRNB4CHRNA3KMOEPHA2
SCHEMBL4650258 0.78 CNR2 (0.33) CNR2
SCHEMBL4648963 0.78 KDM4E (0.46) CNR2POLBMEN1ALDH1A1MAPT
SCHEMBL4649736 0.76 CDK4 (0.38) CNR2POLBL3MBTL1ALDH1A1CYP1A2
SCHEMBL4650342 0.75 CNR2 (0.45) CNR2CHRNB4CHRNA3KMOPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed