SCHEMBL8606385

SCHEMBL8606385

OC[C@H]1O[C@@H](n2cnc3c(NC4CCC(O)CC4)ncnc32)C(O)C1O

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.86
ADORA2A P29274 5/20 0.86
ADORA3 P0DMS8 5/20 0.86
TSHR P16473 3/20 0.86
PMP22 Q01453 2/20 0.86
ADORA2B P29275 2/20 0.86
SLC29A1 Q99808 2/20 0.86
GAA P10253 1/20 0.86
HTT P42858 1/20 0.86
SIGMAR1 Q99720 1/20 0.86
RXFP1 Q9HBX9 1/20 0.86
MEN1 O00255 1/20 0.86
KMT2A Q03164 1/20 0.86
TP53 P04637 1/20 0.86
NFKB1 P19838 1/20 0.86
HIF1A Q16665 1/20 0.86
SMN1; SMN2 Q16637 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
CYP2C19 P33261 1/20 0.85
THPO P40225 1/20 0.85

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
SCHEMBL8606374 1.00 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL9791796 1.00 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL472718 1.00 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL472443 1.00 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL8608395 1.00 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL472716 1.00 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL23982261 0.97 ADORA1 (0.92) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL9142235 0.97 ADORA1 (0.92) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL9495163 0.97 ADORA1 (0.92) ADORA1ADORA2AADORA3TSHRPMP22
SCHEMBL9495177 0.97 ADORA1 (0.92) ADORA1ADORA2AADORA3TSHRPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322242-B1 Adenosine derivatives GLAXO GROUP LTD (GB) 1998-04-01 EP claimed
EP-0322242-B1 Adenosine derivatives GLAXO GROUP LTD (GB) 1998-04-01 EP disclosed
US-5032583-A Cardiovascular disorders GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
EP-0322242-A2 Adenosine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 EP disclosed