SCHEMBL14386949

SCHEMBL14386949

CCOP(=O)(Cc1ccc(NC(=O)CNC(=O)[C@H]2OC(n3ccc(=O)n(C)c3=O)[C@H](O)[C@@H]2O)cc1)OCC

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.78
▸ ENTPD1 P49961 1/20 0.66
▸ ADORA3 P0DMS8 10/20 0.37
▸ ADORA2B P29275 10/20 0.37
▸ ADORA1 P30542 10/20 0.37
▸ NT5E P21589 1/20 0.35

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
SCHEMBL13211013 1.00 ENTPD2 (0.78) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210953 0.91 ENTPD2 (0.74) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210950 0.90 ENTPD2 (0.70) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL3012375 0.89 ENTPD2 (0.61) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL3012376 0.89 ENTPD2 (0.61) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210969 0.87 ENTPD2 (1.00) ENTPD2ENTPD1
SCHEMBL14384565 0.87 ENTPD2 (1.00) ENTPD2ENTPD1
SCHEMBL3020321 0.81 ENTPD2 (0.60) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL3020317 0.81 ENTPD2 (0.60) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13211016 0.81 ENTPD2 (0.78) ENTPD2ENTPD1ADORA3ADORA2BADORA1

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
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 — — WO disclosed
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