SCHEMBL7317617

SCHEMBL7317617

CCOC(=O)CC1(O)CCN(CC2CN(c3ccc(C(=N)NS(C)(=O)=O)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.51
ITGA2B P08514 3/20 0.51
SIGMAR1 Q99720 17/20 0.47
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL7639729 0.95 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8948706 0.90 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7317117 0.89 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7637254 0.87 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6604681 0.86 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7314800 0.86 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7313908 0.86 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7313915 0.85 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7315747 0.85 SIGMAR1 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7317069 0.84 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed