SCHEMBL7453799

SCHEMBL7453799

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC(C)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.57
ADORA2A P29274 19/20 0.57
ADORA1 P30542 16/20 0.57
ADORA2B P29275 14/20 0.57

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
SCHEMBL5088919 0.89 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5093477 0.89 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5086124 0.87 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2B
Formic Acid SCHEMBL7231233 0.86 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7459462 0.86 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2B
Formic Acid SCHEMBL7231574 0.86 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1982965 0.86 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7012704 0.86 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL5089282 0.85 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B
Formic Acid SCHEMBL7229560 0.84 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2B

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-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP claimed