SCHEMBL9791713

SCHEMBL9791713

OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CC[C@H](O)C4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 0.80
▸ ADORA2A P29274 6/20 0.80
▸ ADORA3 P0DMS8 5/20 0.80
▸ TSHR P16473 3/20 0.80
▸ ADORA2B P29275 3/20 0.80
▸ PMP22 Q01453 2/20 0.80
▸ SLC29A1 Q99808 2/20 0.80
▸ GAA P10253 1/20 0.80
▸ HTT P42858 1/20 0.80
▸ SIGMAR1 Q99720 1/20 0.80
▸ RXFP1 Q9HBX9 1/20 0.80
▸ MEN1 O00255 1/20 0.80
▸ KMT2A Q03164 1/20 0.80
▸ TP53 P04637 1/20 0.80
▸ NFKB1 P19838 1/20 0.80
▸ HIF1A Q16665 1/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ THPO P40225 1/20 0.78

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
SCHEMBL9791916 1.00 ADORA1 (0.80) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL9791924 1.00 ADORA1 (0.80) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL9791721 1.00 ADORA1 (0.80) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL9791698 1.00 ADORA1 (0.80) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL9791836 0.94 ADORA1 (0.83) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL8604849 0.94 ADORA1 (0.83) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL8604846 0.94 ADORA1 (0.83) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL9791825 0.94 ADORA1 (0.83) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL8604852 0.94 ADORA1 (0.83) ADORA1ADORA2AADORA3TSHRADORA2B
SCHEMBL472443 0.94 ADORA1 (0.86) ADORA1ADORA2AADORA3TSHRADORA2B

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
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
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