SCHEMBL28824002

SCHEMBL28824002

CCCCc1nc(N2CC(F)(F)C(F)(F)C2)c2ncn(Cc3cccc(Cl)c3)c2n1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.72
YTHDC1 Q96MU7 3/20 0.48
HTR6 P50406 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL28041853 0.84 CNR2 (0.69) CNR2CNR1
SCHEMBL16211930 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL28041632 0.79 CNR2 (0.71) CNR2YTHDC1CNR1
SCHEMBL28041633 0.78 CNR2 (0.72) CNR2CNR1
SCHEMBL28041630 0.77 CNR2 (0.67) CNR2CNR1
SCHEMBL28041634 0.77 CNR2 (0.66) CNR2CNR1
SCHEMBL20171890 0.71 CNR2 (0.77) CNR2YTHDC1HTR6
SCHEMBL7497219 0.70 YTHDC1 (0.52) YTHDC1
SCHEMBL7491638 0.70 PDE4A (0.58) YTHDC1
SCHEMBL16211823 0.69 CNR2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209466-A Purine derivatives as cb2 receptor agonists HOFFMANN LA ROCHE 2015-12-30 CN claimed
CN-105209466-A Purine derivatives as cb2 receptor agonists HOFFMANN LA ROCHE 2015-12-30 CN disclosed