SCHEMBL19230362

SCHEMBL19230362

O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccccc1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.87
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
ABCB11 O95342 1/20 0.71
F2 P00734 1/20 0.71
ST14 Q9Y5Y6 1/20 0.71

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
SCHEMBL806189 1.00 F10 (0.87) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL793663 0.96 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL793664 0.96 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18314269 0.95 F10 (0.80) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20057703 0.94 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19380050 0.91 F10 (0.79) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19230361 0.89 F10 (0.71) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806187 0.88 F10 (0.74) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16467069 0.87 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838774 0.87 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9

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-3309158-B1 CRYSTALLINE FORM K OF RIVAROXABAN AND PROCESS FOR ITS PREPARATION KRKA TOVARNA ZDRAVIL D D (SI) 2022-03-16 EP disclosed
EP-2935255-B1 A PROCESS FOR PREPARATION OF RIVAROXABAN FARMA GRS D O O (SI) 2017-08-16 EP disclosed