SCHEMBL9762010

SCHEMBL9762010

Nc1nc(NCCC2CCOCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.85
ADORA2B P29275 2/20 0.85
ADORA3 P0DMS8 1/20 0.65
ADORA1 P30542 1/20 0.65

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
SCHEMBL9762024 1.00 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762486 0.93 ADORA2A (0.98) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762476 0.93 ADORA2A (0.98) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5334414 0.92 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5334412 0.92 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9761671 0.90 ADORA2A (0.84) ADORA2AADORA2B
SCHEMBL9762045 0.89 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762053 0.89 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9761636 0.87 ADORA2A (0.90) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9761663 0.87 ADORA2A (0.90) ADORA2AADORA2BADORA3ADORA1

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