SCHEMBL5736195

SCHEMBL5736195

CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CN)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.86
ADORA3 P0DMS8 5/20 0.86
ADORA2B P29275 4/20 0.86
ADORA1 P30542 1/20 0.86

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
SCHEMBL5736214 1.00 ADORA2A (0.86) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5733795 0.96 ADORA2A (0.86) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5733812 0.96 ADORA2A (0.86) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5359028 0.93 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5359016 0.93 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6939834 0.93 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2298199 0.92 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2298201 0.92 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5362267 0.90 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5362281 0.90 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110554-B1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORP (JP) 2006-03-08 EP disclosed
US-6387889-B1 REDUCING OCULAR TENSION YAMASA CORPORATION (JP) 2002-05-14 US disclosed
EP-1110554-A1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORPORATION (JP) 2001-06-27 EP disclosed