SCHEMBL14986938

SCHEMBL14986938

CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nn(Cc3ccccc3O)nc2n1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.81
CNR1 P21554 9/20 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
SCHEMBL14973818 0.89 CNR2 (0.81) CNR2CNR1
SCHEMBL14973895 0.88 CNR2 (0.80) CNR2CNR1
SCHEMBL14974049 0.87 CNR2 (0.78) CNR2CNR1
SCHEMBL20951569 0.86 CNR2 (0.82) CNR2CNR1
SCHEMBL14974137 0.86 CNR2 (0.78) CNR2CNR1
SCHEMBL14974454 0.86 CNR2 (0.79) CNR2CNR1
SCHEMBL14973658 0.86 CNR2 (0.77) CNR2CNR1
SCHEMBL19743407 0.85 CNR2 (0.76) CNR2CNR1
SCHEMBL14974108 0.85 CNR2 (0.76) CNR2CNR1
SCHEMBL20951784 0.85 CNR2 (1.00) 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
WO-2013076182-A1 [1, 2, 3]TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO disclosed