SCHEMBL3262953

SCHEMBL3262953

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)Oc1ccc(Cl)s1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.74
ABCB11 O95342 1/20 0.62
F2 P00734 1/20 0.62
ST14 Q9Y5Y6 1/20 0.62
MAOB P27338 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
SCHEMBL3674517 0.92 F10 (0.63) F10ABCB11F2ST14
SCHEMBL3686375 0.89 F10 (0.62) F10ABCB11F2ST14
SCHEMBL2188917 0.88 F10 (0.94) F10ABCB11F2ST14
SCHEMBL78812 0.85 F10 (1.00) F10ABCB11F2ST14
SCHEMBL87622 0.85 F10 (1.00) F10ABCB11F2ST14
SCHEMBL3678860 0.84 F10 (0.60) F10MAOB
SCHEMBL3678642 0.84 F10 (0.60) F10
SCHEMBL3690092 0.83 F10 (0.60) F10
SCHEMBL3687020 0.83 F10 (0.58) F10MAOB
SCHEMBL2986836 0.80 F10 (0.82) F10ABCB11F2ST14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209776-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDER Bayer Schering Pharma AG (DE) 2010-07-28 EP disclosed
EP-2167500-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
EP-2167495-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
EP-2167500-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007027-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008155034-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed