SCHEMBL14977498

SCHEMBL14977498

CC(C)(C)c1nc(N2CCC(O)C2)c2nn(Cc3nnnn3C3CC3)nc2n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.67

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
SCHEMBL14973930 1.00 CNR2 (0.67) CNR2
SCHEMBL14973604 0.89 CNR2 (0.66) CNR2
SCHEMBL14974287 0.89 CNR2 (0.66) CNR2
SCHEMBL14973799 0.89 CNR2 (0.66) CNR2
SCHEMBL14973782 0.84 CNR2 (0.67) CNR2
SCHEMBL14977326 0.84 CNR2 (0.53) CNR2
SCHEMBL14974530 0.84 CNR2 (0.53) CNR2
SCHEMBL14974007 0.84 CNR2 (0.53) CNR2
SCHEMBL14911903 0.82 CNR2 (0.73) CNR2
SCHEMBL14977461 0.81 CNR2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782915-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP claimed
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 claimed
EP-2782915-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
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