SCHEMBL6576733

SCHEMBL6576733

CCCC(=O)N1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](c3cc(C(C)(C)C)no3)[C@@H](O)[C@H]2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.51
ADORA3 P0DMS8 5/20 0.50
ADORA2A P29274 4/20 0.50
ADORA2B P29275 4/20 0.50
TSHR P16473 2/20 0.46
PMP22 Q01453 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SLC29A1 Q99808 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL6795469 0.94 ADORA1 (0.49) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6572645 0.91 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6572642 0.91 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6575235 0.90 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6574136 0.90 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6575114 0.88 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6575020 0.88 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6574598 0.87 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6574593 0.87 ADORA1 (0.53) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6573843 0.86 ADORA3 (0.49) ADORA1ADORA3ADORA2AADORA2BTSHR

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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US disclosed