SCHEMBL8820007

SCHEMBL8820007

COC[C@H]1O[C@@H](n2cnc3c(NOC)nc(Cl)nc32)C(O)C1O

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.83
ADORA2A P29274 6/20 0.64
ADORA1 P30542 6/20 0.64
ADORA2B P29275 2/20 0.60
NT5E P21589 1/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL8820000 1.00 ADORA3 (0.83) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL8820459 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL8818565 0.91 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL8817947 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL8818548 0.91 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL14906327 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL6809456 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL6809452 0.88 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL18526554 0.86 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL4451649 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BNT5E

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
WO-1997033590-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed