SCHEMBL7462883

SCHEMBL7462883

COc1ccc(C[C@@H](NC(=O)C2CN(c3ccc(C(=N)N)cc3)C(=O)O2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ITGB3 P05106 9/20 0.41
PRSS1 P07477 9/20 0.41
PRSS2 P07478 9/20 0.41
ITGA2B P08514 9/20 0.41
PRSS3 P35030 9/20 0.41
CACNA1B Q00975 6/20 0.41
F10 P00742 6/20 0.41
F2 P00734 2/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7461228 0.92 ITGB3 (0.42) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7457527 0.91 ADORA2A (0.43) ADORA2AITGB3PRSS1PRSS2ITGA2B
SCHEMBL7462112 0.89 ADORA2A (0.54) ADORA2AITGB3PRSS1PRSS2ITGA2B
SCHEMBL27505326 0.83 ADORA2A (0.43) ADORA2ACACNA1B
SCHEMBL7457387 0.83 ADORA2A (0.43) ADORA2ACACNA1B
SCHEMBL7466875 0.82 ITGB3 (0.42) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7460203 0.82 ITGB3 (0.43) ADORA2AITGB3ITGA2BCACNA1BF10
SCHEMBL7229073 0.79 GRM2 (0.45) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7463401 0.79 ITGB3 (0.45) ADORA2AITGB3PRSS1PRSS2ITGA2B
SCHEMBL7462123 0.79 ADORA2A (0.48) ADORA2AITGB3PRSS1PRSS2ITGA2B

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed