SCHEMBL5213596

SCHEMBL5213596

CC(=O)N[C@H]1CCN(C(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(C)C)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.61
KDM5A P29375 3/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
EGFR P00533 2/20 0.42
BTK Q06187 2/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL5212777 1.00 CNR2 (0.61) CNR2KDM5AIRAK4EGFRBTK
SCHEMBL5212774 1.00 CNR2 (0.61) CNR2KDM5AIRAK4EGFRBTK
SCHEMBL5215693 0.84 CNR2 (0.59) CNR2IRAK4
SCHEMBL5215525 0.82 CNR2 (0.63) CNR2
SCHEMBL5213329 0.82 CNR2 (0.62) CNR2
SCHEMBL5212172 0.81 CNR2 (0.68) CNR2
SCHEMBL4648469 0.80 CNR2 (0.87) CNR2
SCHEMBL5214047 0.79 CNR2 (0.58) CNR2
SCHEMBL5077114 0.78 CNR2 (0.84) CNR2
SCHEMBL3379002 0.78 CNR2 (0.58) CNR2EGFRBTK

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-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed