SCHEMBL6573093

SCHEMBL6573093

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CCN(C(=O)O)C(CC)C5)ncnc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.48
ADORA2A P29274 4/20 0.48
ADORA2B P29275 4/20 0.48
ADORA3 P0DMS8 4/20 0.48
TSHR P16473 2/20 0.44
PMP22 Q01453 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC29A1 Q99808 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL6574690 0.95 ADORA1 (0.49) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6576874 0.90 ADORA3 (0.51) ADORA1ADORA2AADORA2BADORA3RXFP1
SCHEMBL6574494 0.88 ADORA3 (0.41) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7129259 0.88 ADORA1 (0.55) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL7129251 0.88 ADORA1 (0.55) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6574625 0.86 ADORA1 (0.48) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6576751 0.85 ADORA3 (0.51) ADORA1ADORA2AADORA2BADORA3RXFP1
SCHEMBL6572785 0.84 ADORA1 (0.55) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6572787 0.84 ADORA1 (0.55) ADORA1ADORA2AADORA2BADORA3TSHR
SCHEMBL6575528 0.82 ADORA3 (0.63) ADORA1ADORA2AADORA2BADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed