SCHEMBL7804773

SCHEMBL7804773

Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.90
▸ ADORA2A P29274 14/20 0.90
▸ ADORA1 P30542 14/20 0.90
▸ ADORA2B P29275 13/20 0.90

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
SCHEMBL4538178 0.95 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5734430 0.95 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6725190 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL278293 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13461111 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL24146779 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL314542 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7932653 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL10040218 0.83 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL14131245 0.83 ADORA3 (0.76) 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-1110554-A1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORPORATION (JP) 2001-06-27 — — EP disclosed
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