SCHEMBL9761695

SCHEMBL9761695

CCN(CC)C(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.76
ADORA2B P29275 2/20 0.76

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
SCHEMBL9763009 0.93 ADORA2A (0.77) ADORA2AADORA2B
SCHEMBL9762794 0.91 ADORA2A (0.72) ADORA2AADORA2B
SCHEMBL10588301 0.90 ADORA2A (0.75) ADORA2AADORA2B
SCHEMBL9762726 0.90 ADORA2A (0.87) ADORA2AADORA2B
SCHEMBL10585659 0.89 ADORA2A (0.78) ADORA2AADORA2B
Hydrochloric Acid SCHEMBL10587217 0.89 ADORA2A (0.86) ADORA2AADORA2B
SCHEMBL9762946 0.88 ADORA2A (0.82) ADORA2AADORA2B
SCHEMBL10586444 0.87 ADORA2A (0.82) ADORA2AADORA2B
SCHEMBL10588074 0.87 ADORA2A (0.82) ADORA2AADORA2B
SCHEMBL9762920 0.86 ADORA2A (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP disclosed