SCHEMBL20171921

SCHEMBL20171921

CC(C)(C)c1nc(N2CCCC2)c2ncn(Cc3ccccc3C(F)(F)F)c2n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.79
CNR1 P21554 2/20 0.76

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
SCHEMBL16211574 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL16211953 0.87 CNR2 (1.00) CNR2CNR1
SCHEMBL20171847 0.86 CNR2 (0.77) CNR2CNR1
SCHEMBL16211770 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL16211768 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL20171882 0.85 CNR2 (0.76) CNR2CNR1
SCHEMBL16211872 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL16211761 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL20171923 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL20171918 0.84 CNR2 (0.57) CNR2CNR1

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