SCHEMBL20171902

SCHEMBL20171902

CC(C)(C)Nc1nc(N2CCOCC2)c2ncn(CCC(F)(F)F)c2n1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.73

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
SCHEMBL20171926 0.90 CNR2 (0.74) CNR2
SCHEMBL16212396 0.85 CNR2 (1.00) CNR2
SCHEMBL16211482 0.82 CNR2 (1.00) CNR2
SCHEMBL16211895 0.82 CNR2 (1.00) CNR2
SCHEMBL16211894 0.82 CNR2 (1.00) CNR2
SCHEMBL20171879 0.79 CNR2 (0.76) CNR2
SCHEMBL20171907 0.78 CNR2 (0.75) CNR2
SCHEMBL20171934 0.77 CNR2 (0.75) CNR2
SCHEMBL25231114 0.75 STAT3 (0.49) CNR2
SCHEMBL20171914 0.74 CNR2 (0.76) CNR2

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-2991987-B1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed