SCHEMBL9762789

SCHEMBL9762789

Nc1nc(NCCC2CC3CCC2C3)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.72
ADORA2B P29275 2/20 0.72

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
SCHEMBL9762773 1.00 ADORA2A (0.72) ADORA2AADORA2B
SCHEMBL9762476 0.84 ADORA2A (0.98) ADORA2AADORA2B
SCHEMBL9762486 0.84 ADORA2A (0.98) ADORA2AADORA2B
SCHEMBL5334412 0.84 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL5334414 0.84 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL9762024 0.83 ADORA2A (0.85) ADORA2AADORA2B
SCHEMBL9762010 0.83 ADORA2A (0.85) ADORA2AADORA2B
SCHEMBL9761671 0.82 ADORA2A (0.84) ADORA2AADORA2B
SCHEMBL11413029 0.82 ADORA2A (0.78) ADORA2AADORA2B
SCHEMBL11413017 0.82 ADORA2A (0.78) 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