SCHEMBL6659474

SCHEMBL6659474

COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc5oc(OC(=O)OC)cc5c4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.65
ADORA1 P30542 3/20 0.65
DNPH1 O43598 1/20 0.55
P2RX3 P56373 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX2 Q9UBL9 1/20 0.52

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
SCHEMBL6662031 0.88 ADORA3 (0.67) ADORA3ADORA1DNPH1
SCHEMBL6559694 0.80 ADORA3 (0.77) ADORA3ADORA1DNPH1P2RX3P2RX4
SCHEMBL6559701 0.80 ADORA3 (0.77) ADORA3ADORA1DNPH1P2RX3P2RX4
SCHEMBL6657691 0.79 ADORA3 (0.81) ADORA3ADORA1DNPH1
Gr-190178 SCHEMBL6559897 0.79 ADORA3 (1.00) ADORA3ADORA1DNPH1
Gr-190178 SCHEMBL6559907 0.79 ADORA3 (1.00) ADORA3ADORA1DNPH1
SCHEMBL6657697 0.79 ADORA3 (0.81) ADORA3ADORA1DNPH1
SCHEMBL6659300 0.79 ADORA1 (0.72) ADORA3ADORA1DNPH1
SCHEMBL6659305 0.79 ADORA1 (0.72) ADORA3ADORA1DNPH1
SCHEMBL6661610 0.79 ADORA1 (0.68) ADORA3ADORA1DNPH1P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP claimed