SCHEMBL9765738

SCHEMBL9765738

OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCCC4)ncnc32)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.69
ADORA1 P30542 3/20 0.67
TSHR P16473 3/20 0.67
ADORA3 P0DMS8 2/20 0.67
ADORA2A P29274 2/20 0.67
NFKB1 P19838 2/20 0.67
THPO P40225 1/20 0.67
PMP22 Q01453 1/20 0.66
GAA P10253 1/20 0.66
ADORA2B P29275 1/20 0.66
HTT P42858 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
TP53 P04637 1/20 0.66
HIF1A Q16665 1/20 0.66

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
SCHEMBL9765721 1.00 SLC29A1 (0.69) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL9765719 0.99 SLC29A1 (0.68) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL9765704 0.99 SLC29A1 (0.68) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL9765756 0.90 SLC29A1 (0.69) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL9765745 0.90 SLC29A1 (0.69) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL29364428 0.87 SLC29A1 (0.79) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL20579787 0.87 SLC29A1 (0.79) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL899687 0.87 SLC29A1 (0.79) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL17470300 0.87 SLC29A1 (0.79) SLC29A1ADORA1TSHRADORA3ADORA2A
SCHEMBL16010153 0.87 SLC29A1 (0.79) SLC29A1ADORA1TSHRADORA3ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055569-A Gastrointestinal disorders G. D. SEARLE & CO. (US) 1991-10-08 US disclosed
EP-0423777-A2 Method of treating gastrointestinal motility disorders G.D. Searle & Co. (US) 1991-04-24 EP disclosed
EP-0423776-A2 N-(6)-substituted adenosine compounds G.D. Searle & Co. (US) 1991-04-24 EP disclosed