SCHEMBL9765704

SCHEMBL9765704

OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.68
ADORA2A P29274 2/20 0.67
TSHR P16473 2/20 0.67
THPO P40225 2/20 0.67
PMP22 Q01453 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP2C19 P33261 1/20 0.67
ADORA1 P30542 2/20 0.66
ADORA3 P0DMS8 1/20 0.66
NFKB1 P19838 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
SCHEMBL9765719 1.00 SLC29A1 (0.68) SLC29A1ADORA2ATSHRTHPOPMP22
SCHEMBL9765738 0.99 SLC29A1 (0.69) SLC29A1ADORA2ATSHRTHPOPMP22
SCHEMBL9765721 0.99 SLC29A1 (0.69) SLC29A1ADORA2ATSHRTHPOPMP22
SCHEMBL9765756 0.89 SLC29A1 (0.69) SLC29A1ADORA2ATSHRTHPOADORA1
SCHEMBL9765745 0.89 SLC29A1 (0.69) SLC29A1ADORA2ATSHRTHPOADORA1
SCHEMBL899687 0.86 SLC29A1 (0.79) SLC29A1ADORA2ATSHRTHPOADORA1
SCHEMBL17470300 0.86 SLC29A1 (0.79) SLC29A1ADORA2ATSHRTHPOADORA1
SCHEMBL20579787 0.86 SLC29A1 (0.79) SLC29A1ADORA2ATSHRTHPOADORA1
SCHEMBL29364428 0.86 SLC29A1 (0.79) SLC29A1ADORA2ATSHRTHPOADORA1
SCHEMBL16010153 0.86 SLC29A1 (0.79) SLC29A1ADORA2ATSHRTHPOADORA1

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