SCHEMBL3142255

SCHEMBL3142255

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C1=CC(Br)=CCC1=S

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.67
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ABCB11 O95342 1/20 0.60
F2 P00734 1/20 0.60
ST14 Q9Y5Y6 1/20 0.60

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
SCHEMBL3142337 0.90 F10 (0.67) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL583181 0.90 F10 (0.67) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3155737 0.90 F10 (0.65) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3146563 0.88 F10 (0.66) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1425810 0.84 F10 (0.64) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3142323 0.82 F10 (0.59) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3151258 0.81 F10 (0.55) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3150382 0.81 F10 (0.68) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3151478 0.81 F10 (0.58) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3150504 0.81 F10 (0.62) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
EP-1411932-B1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER SCHERING PHARMA AG (DE) 2010-02-10 EP disclosed
EP-1526132-A2 Substituted oxazolidinone derivatives and their use as factor xa inhibitors Bayer HealthCare AG (DE) 2005-04-27 EP disclosed
EP-1261606-B1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AG (DE) 2005-02-23 EP disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 WO disclosed
EP-1261606-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION Bayer Aktiengesellschaft (DE) 2002-12-04 EP disclosed
WO-2001047919-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed