SCHEMBL20057744

SCHEMBL20057744

O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(O)O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.37
KDM1A O60341 1/20 0.37
CYP2J2 P51589 1/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA2 Q15349 1/20 0.37

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
SCHEMBL18427385 0.82 F10 (0.63) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL30146333 0.81 F10 (0.66) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL78772 0.81 F10 (0.66) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL460444 0.81 F10 (0.66) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL15065018 0.81 F10 (0.66) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL29651806 0.81 F10 (0.66) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL29446947 0.81 F10 (0.66) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL13225495 0.79 F10 (0.49) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL15857655 0.78 F10 (0.56) F10CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL17189782 0.78 F10 (0.46) F10CYP1A2CYP2C9CYP2C19SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309158-A1 CRYSTALLINE FORM K OF RIVAROXABAN AND PROCESS FOR ITS PREPARATION Farma GRS, d.o.o. (SI) 2018-04-18 EP disclosed