SCHEMBL7512284

SCHEMBL7512284

N[C@H]1[C@@H](O)[C@H](n2cnc3c(NCc4cc(Cl)ccc4Cl)ncnc32)O[C@@H]1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.69
ADORA1 P30542 3/20 0.61
ADORA2A P29274 1/20 0.56

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
SCHEMBL29389782 0.91 ADORA3 (0.83) ADORA3ADORA1
SCHEMBL935050 0.91 ADORA3 (0.83) ADORA3ADORA1
SCHEMBL937053 0.91 ADORA3 (0.73) ADORA3ADORA1ADORA2A
SCHEMBL24615060 0.85 ADORA3 (0.76) ADORA3ADORA1
SCHEMBL19459489 0.84 ADORA3 (0.82) ADORA3ADORA1
SCHEMBL6218121 0.83 ADORA3 (0.88) ADORA3ADORA1ADORA2A
SCHEMBL6765528 0.83 ADORA3 (0.88) ADORA3ADORA1ADORA2A
SCHEMBL19520735 0.83 ADORA3 (0.69) ADORA3ADORA1
SCHEMBL640074 0.82 ADORA3 (0.80) ADORA3ADORA1ADORA2A
SCHEMBL640073 0.82 ADORA3 (0.80) ADORA3ADORA1ADORA2A

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-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP disclosed