SCHEMBL7466875

SCHEMBL7466875

C[C@@H](NC(=O)C1CN(c2ccc(C(=N)N)cc2)C(=O)O1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.42
ITGA2B P08514 13/20 0.42
PRSS1 P07477 9/20 0.42
PRSS2 P07478 9/20 0.42
PRSS3 P35030 9/20 0.42
F10 P00742 6/20 0.41
F2 P00734 2/20 0.39
GRM2 Q14416 1/20 0.36
MAOA P21397 1/20 0.35
F9 P00740 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
SCHEMBL7463795 0.91 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7452003 0.86 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7457527 0.84 ADORA2A (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7461228 0.83 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7462883 0.82 ADORA2A (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7462749 0.80 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7468374 0.78 ITGB3 (0.43) ITGB3ITGA2BF10
SCHEMBL7456296 0.75 PRSS1 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7457387 0.75 ADORA2A (0.43) MAOA
SCHEMBL7465852 0.75 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3

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