SCHEMBL4588009

SCHEMBL4588009

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)OO1)c1ccc(Cl)s1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.77
ABCB11 O95342 1/20 0.77
F2 P00734 1/20 0.77
ST14 Q9Y5Y6 1/20 0.77
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP2C8 P10632 1/20 0.56
KCNH2 Q12809 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
Rivaroxaban SCHEMBL3914 0.87 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL7721848 0.87 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL77766 0.87 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL14796329 0.86 F10 (0.98) F10ABCB11F2ST14CYP3A4
SCHEMBL21305662 0.85 F10 (0.80) F10ABCB11F2ST14CYP3A4
SCHEMBL3375861 0.85 F10 (0.86) F10ABCB11F2ST14CYP3A4
SCHEMBL5478295 0.85 F10 (0.85) F10ABCB11F2ST14CYP3A4
SCHEMBL13068882 0.85 F10 (0.85) F10ABCB11F2ST14CYP3A4
SCHEMBL18427368 0.84 F10 (0.75) F10ABCB11F2ST14CYP3A4
SCHEMBL13977416 0.83 F10 (0.74) F10ABCB11F2ST14CYP3A4

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-1689370-B2 METHOD FOR THE PRODUCTION OF A SOLID, ORALLY APPLICABLE PHARMACEUTICAL COMPOSITION COMPRISING 5-Chlor-N ( { (5-2-oxo-3- [4- (3-oxo-4-morpholinyl)-phenyl]-1, 3- oxazolidin-5-yl}-methyl)-2-thiophencarboxamide BAYER IP GMBH (DE) 2016-09-14 EP disclosed
EP-1689370-B1 METHOD FOR THE PRODUCTION OF A SOLID, ORALLY APPLICABLE PHARMACEUTICAL COMPOSITION COMPRISING 5-Chlor-N ( { (5-2-oxo-3- [4- (3-oxo-4-morpholinyl)-phenyl]-1, 3- oxazolidin-5-yl}-methyl)-2-thiophencarboxamide BAYER HEALTHCARE AG (DE) 2008-02-13 EP disclosed