SCHEMBL4634726

SCHEMBL4634726

CN[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 9/20 0.45
P2RY4 P51582 5/20 0.45
P2RY6 Q15077 13/20 0.45
P2RY14 Q15391 2/20 0.44
ADSS2 P30520 1/20 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
SCHEMBL18486630 0.85 P2RY2 (0.48) P2RY2P2RY4P2RY6P2RY14ADSS2
SCHEMBL5616897 0.83 SLC28A1 (0.46) P2RY2P2RY4P2RY6P2RY14
SCHEMBL2176031 0.82 P2RY6 (0.47) P2RY2P2RY4P2RY6P2RY14ADSS2
SCHEMBL32679517 0.81 P2RY2 (0.45) P2RY2P2RY4P2RY6P2RY14
SCHEMBL30271290 0.79 P2RY6 (0.45) P2RY2P2RY4P2RY6P2RY14ADSS2
SCHEMBL4267966 0.78 P2RY6 (0.46) P2RY2P2RY4P2RY6P2RY14
SCHEMBL18486642 0.77 P2RY6 (0.59) P2RY2P2RY4P2RY6P2RY14
SCHEMBL30874774 0.76 P2RY6 (0.47) P2RY2P2RY4P2RY6P2RY14ADSS2
SCHEMBL2011098 0.76 P2RY2 (0.62) P2RY2P2RY4P2RY6
SCHEMBL31301048 0.75 P2RY2 (0.45) P2RY2P2RY4P2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931691-A1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA University Health Network (CA) 2008-06-18 EP disclosed
WO-2007038859-A1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA UNIVERSITY HEALTH NETWORK (CA) 2007-04-12 WO disclosed