SCHEMBL5733795

SCHEMBL5733795

CCCCCCC#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 11/20 0.86
ADORA2B P29275 6/20 0.86
ADORA3 P0DMS8 5/20 0.80
ADORA1 P30542 1/20 0.80

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
SCHEMBL5733812 1.00 ADORA2A (0.86) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5736214 0.96 ADORA2A (0.86) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5736195 0.96 ADORA2A (0.86) ADORA2AADORA2BADORA3ADORA1
SCHEMBL789234 0.93 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9173436 0.93 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5737339 0.93 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9166176 0.93 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6938649 0.93 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL21710733 0.93 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9173411 0.93 ADORA2A (1.00) 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 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