SCHEMBL5735007

SCHEMBL5735007

COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.79
ADORA2B P29275 4/20 0.79
ADORA3 P0DMS8 1/20 0.76
ADORA1 P30542 1/20 0.76

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
SCHEMBL5735019 1.00 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5734952 0.90 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5734965 0.90 ADORA2A (0.79) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6939161 0.90 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7762507 0.90 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5733877 0.90 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5733892 0.90 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL18674322 0.89 ADORA2A (0.80) ADORA2AADORA2BADORA3ADORA1
SCHEMBL18677240 0.89 ADORA2A (0.80) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5735005 0.88 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