SCHEMBL1160964

SCHEMBL1160964

O=C(NC[C@H]1CN(c2ccccc2N2CCOCC2=O)C(=O)O1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.62
▸ F10 P00742 19/20 0.61
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ F2 P00734 1/20 0.58
▸ ST14 Q9Y5Y6 1/20 0.58

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
SCHEMBL18897606 0.90 F10 (0.76) MAOBF10CYP1A2CYP3A4CYP2D6
SCHEMBL1160965 0.90 F10 (0.76) MAOBF10CYP1A2CYP3A4CYP2D6
SCHEMBL1160969 0.90 F10 (0.76) MAOBF10CYP1A2CYP3A4CYP2D6
SCHEMBL19230362 0.77 F10 (0.87) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806189 0.77 F10 (0.87) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15319214 0.77 F10 (0.75) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18409562 0.76 MAOB (1.00) MAOBF10
SCHEMBL793664 0.76 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL793663 0.76 F10 (0.81) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL793868 0.76 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-2459555-A1 PROCESSES FOR CRYSTALLIZATION OF RIVAROXABAN KRKA, D.D., Novo Mesto (SI) 2012-06-06 — — EP disclosed
WO-2011012321-A1 PROCESSES FOR CRYSTALLIZATION OF RIVAROXABAN KRKA, D.D., NOVO MESTO (SI) 2011-02-03 — — WO disclosed
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