SCHEMBL20171890

SCHEMBL20171890

CC(C)(C)c1nc(N2CCCC2)c2ncn(Cc3cccc(Cl)c3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.77
YTHDC1 Q96MU7 1/20 0.53
HTR6 P50406 1/20 0.53

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
SCHEMBL20171927 0.89 CNR2 (0.73) CNR2
SCHEMBL16211930 0.87 CNR2 (1.00) CNR2
SCHEMBL16211911 0.86 CNR2 (1.00) CNR2
SCHEMBL16211504 0.86 CNR2 (1.00) CNR2
SCHEMBL16211823 0.85 CNR2 (1.00) CNR2
SCHEMBL16212097 0.84 CNR2 (1.00) CNR2
SCHEMBL20171882 0.82 CNR2 (0.76) CNR2
SCHEMBL16211851 0.81 CNR2 (1.00) CNR2
SCHEMBL16211850 0.81 CNR2 (1.00) CNR2
SCHEMBL20171868 0.80 CNR2 (0.78) 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