SCHEMBL8133014

SCHEMBL8133014

CCOC(=O)[C@H]1NCC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)=C1c1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
PRSS1 P07477 6/20 0.47
PRSS2 P07478 6/20 0.47
ITGA2B P08514 6/20 0.47
PRSS3 P35030 6/20 0.47
F10 P00742 10/20 0.45
ABCB11 O95342 1/20 0.43
CMA1 P23946 1/20 0.42
MAOA P21397 2/20 0.42

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
SCHEMBL7119637 0.79 ITGB3 (0.47) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7128273 0.78 ITGB3 (0.44) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8125773 0.77 F10 (0.42) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8124896 0.77 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8125506 0.77 MAOA (0.42) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8138896 0.76 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL7125767 0.75 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8126832 0.75 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL8135588 0.75 F10 (0.41) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL13298924 0.74 MAOA (0.61) F10ABCB11MAOA

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-1005468-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010342-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1999-03-04 WO disclosed