SCHEMBL6835812

SCHEMBL6835812

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NC)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.80
ADORA3 P0DMS8 5/20 0.80
ADORA2B P29275 5/20 0.80
ADORA1 P30542 5/20 0.80

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
SCHEMBL4371630 0.93 ADORA2A (0.83) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371641 0.93 ADORA2A (0.83) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723755 0.92 ADORA2A (0.89) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7244182 0.92 ADORA2A (0.89) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4368841 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4368838 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6831924 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723698 0.91 ADORA2A (0.79) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5723694 0.91 ADORA2A (0.79) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371495 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1

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
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed