SCHEMBL9762946

SCHEMBL9762946

CN(C)C(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.82
ADORA2B P29275 2/20 0.82
ADORA3 P0DMS8 1/20 0.66
ADORA1 P30542 1/20 0.66

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 0.94 ADORA2A (0.77) ADORA2AADORA2B
SCHEMBL10588368 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762945 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Hydrochloric Acid SCHEMBL9762842 0.90 ADORA2A (0.98) ADORA2AADORA2BADORA3ADORA1
SCHEMBL10586444 0.89 ADORA2A (0.82) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9761695 0.88 ADORA2A (0.76) ADORA2AADORA2B
SCHEMBL10588074 0.87 ADORA2A (0.82) ADORA2AADORA2B
SCHEMBL9762920 0.87 ADORA2A (0.84) ADORA2AADORA2BADORA1
SCHEMBL9762726 0.87 ADORA2A (0.87) ADORA2AADORA2B
SCHEMBL9762938 0.87 ADORA2A (0.84) ADORA2AADORA2BADORA1

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