SCHEMBL3674517

SCHEMBL3674517

O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2Cl)C(=O)O1)Oc1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.63
ABCB11 O95342 1/20 0.63
F2 P00734 1/20 0.63
ST14 Q9Y5Y6 1/20 0.63
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL3262953 0.92 F10 (0.74) F10ABCB11F2ST14
SCHEMBL2986836 0.88 F10 (0.82) F10ABCB11F2ST14CYP1A2
SCHEMBL77782 0.85 F10 (0.86) F10ABCB11F2ST14CYP1A2
SCHEMBL3686375 0.84 F10 (0.62) F10ABCB11F2ST14CYP1A2
SCHEMBL16493912 0.81 F10 (0.55) F10
SCHEMBL2188917 0.80 F10 (0.94) F10ABCB11F2ST14
SCHEMBL3677147 0.79 F10 (0.56) F10
SCHEMBL3674691 0.78 F10 (0.54) F10F2
SCHEMBL16493883 0.78 F10 (0.52) F10
Rivaroxaban SCHEMBL3914 0.78 F10 (1.00) F10ABCB11F2ST14CYP1A2

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-2167495-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155034-A1 SUBSTITUTED OXAZOLIDINONES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed