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SCHEMBL6829244

SCHEMBL6829244

COC(C1CCCC1)[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.48
▸ DNMT3B Q9UBC3 1/20 0.48
▸ ADORA2A P29274 9/20 0.48
▸ ADORA2B P29275 6/20 0.48
▸ ADORA3 P0DMS8 4/20 0.46
▸ RNASEL Q05823 1/20 0.46

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
SCHEMBL5349432 0.90 ADORA3 (0.60) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL5361659 0.86 ADORA3 (0.57) ADORA2AADORA2BADORA3
SCHEMBL25619503 0.83 DNMT1 (0.56) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL25619482 0.83 DNMT1 (0.56) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL6826877 0.82 DNMT1 (0.49) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL5349424 0.80 ADORA3 (0.61) DNMT1ADORA2AADORA2BADORA3
SCHEMBL5350387 0.79 ADORA3 (0.61) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL5349884 0.77 HSP90B1 (0.57) ADORA2AADORA2BADORA3
SCHEMBL28073065 0.76 RNASEL (0.51) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL20009824 0.76 DNMT1 (0.51) DNMT1DNMT3BADORA2AADORA2BADORA3

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-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 — — US claimed