SCHEMBL5015037

SCHEMBL5015037

Nc1cc(N2CCN3CC(COc4ccc(F)cc4F)CCC3C2)nc2nc(-c3ccco3)nn12

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.64

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
SCHEMBL5012669 0.89 ADORA2A (0.80) ADORA2A
SCHEMBL5013381 0.89 ADORA2A (0.63) ADORA2A
SCHEMBL5012667 0.87 ADORA2A (0.67) ADORA2A
SCHEMBL5013330 0.85 ADORA2A (0.63) ADORA2A
SCHEMBL5550203 0.85 ADORA2A (0.59) ADORA2A
SCHEMBL5011715 0.85
SCHEMBL5011670 0.85 ADORA2A (0.69) ADORA2A
SCHEMBL5012660 0.84
SCHEMBL5012672 0.83 ADORA2A (0.63) ADORA2A
SCHEMBL3547778 0.83

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-1633756-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-12-24 EP claimed