SCHEMBL6852905

SCHEMBL6852905

CCC(=O)NOC[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC=O)cc4)nc32)C(O)C1O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.62
ADORA2B P29275 6/20 0.62
ADORA3 P0DMS8 4/20 0.58
ADORA1 P30542 4/20 0.58
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL6869326 0.91 ADORA2A (0.76) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL25437252 0.83 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL12103714 0.82 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL6708382 0.82 ADORA2A (0.63) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL5490949 0.80 ADORA2A (0.73) ADORA2AADORA2BADORA3ADORA1ALOX15
SCHEMBL10585659 0.78 ADORA2A (0.78) ADORA2AADORA2B
SCHEMBL10588301 0.78 ADORA2A (0.75) ADORA2AADORA2B
SCHEMBL10586444 0.78 ADORA2A (0.82) ADORA2AADORA2BADORA3ADORA1
SCHEMBL10588074 0.77 ADORA2A (0.82) ADORA2AADORA2B
SCHEMBL9762726 0.77 ADORA2A (0.87) ADORA2AADORA2B

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-0996453-B1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 2004-04-28 EP claimed