SCHEMBL6870926

SCHEMBL6870926

CC1(C)[C@]2(O)[C@@H](C(O)C(=O)O)O[C@@H](n3cnc4c(NCl)ncnc43)[C@]12O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.44
ADORA2A P29274 8/20 0.43
ADORA1 P30542 5/20 0.42
ADORA2B P29275 3/20 0.42

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
SCHEMBL5987512 0.87 TYMP (0.41) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7743648 0.86 ADORA2A (0.40) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6298549 0.85 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8306794 0.79 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL11701245 0.78 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL11703712 0.78 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5989031 0.78 ADORA3 (0.38) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3409898 0.77 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL258946 0.77 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL259555 0.76 ADORA3 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404338-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
WO-2002092093-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed