SCHEMBL13068882

SCHEMBL13068882

C=C1O[C@@H](CNC(=O)c2ccc(Cl)s2)CN1c1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.85
▸ ABCB11 O95342 1/20 0.85
▸ F2 P00734 1/20 0.85
▸ ST14 Q9Y5Y6 1/20 0.85
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68

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 SCHEMBL77766 0.92 F10 (1.00) F10ABCB11F2ST14CYP1A2
Rivaroxaban SCHEMBL3914 0.92 F10 (1.00) F10ABCB11F2ST14CYP1A2
Rivaroxaban SCHEMBL7721848 0.92 F10 (1.00) F10ABCB11F2ST14CYP1A2
Rivaroxaban SCHEMBL14796329 0.91 F10 (0.98) F10ABCB11F2ST14CYP1A2
SCHEMBL3375861 0.90 F10 (0.86) F10ABCB11F2ST14CYP1A2
SCHEMBL5478295 0.89 F10 (0.85) F10ABCB11F2ST14CYP1A2
Rivaroxaban SCHEMBL14796410 0.87 F10 (0.90) F10ABCB11F2ST14CYP1A2
Rivaroxaban SCHEMBL30893049 0.86 F10 (0.90) F10ABCB11F2ST14CYP1A2
SCHEMBL13722056 0.86 F10 (0.80) F10ABCB11F2ST14
SCHEMBL21305662 0.86 F10 (0.80) 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
WO-2013121436-A2 A PROCESS FOR PREPARATION OF RIVAROXABAN AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD (IN) 2013-08-22 — — WO disclosed
EP-1874764-B1 IMINO-OXAZOLIDINES AND USE THEREOF AS ANTICOAGULANTS BAYER SCHERING PHARMA AG (DE) 2010-11-10 — — EP disclosed
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