SCHEMBL18155440

SCHEMBL18155440

O=C1COCCN1c1ccc(N2CC(CNCO)OC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.69
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
ABCB11 O95342 1/20 0.63
F2 P00734 1/20 0.63
ST14 Q9Y5Y6 1/20 0.63
CYP2J2 P51589 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
SCHEMBL21278418 0.87 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2178710 0.87 F10 (0.77) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2178715 0.87 F10 (0.77) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15857656 0.86 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15846529 0.86 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806187 0.86 F10 (0.74) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838785 0.86 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13575721 0.86 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15120924 0.86 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838774 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895176-B1 RIVAROXABAN INTERMEDIATE AND PREPARATION THEREOF WANBURY LTD (IN) 2016-10-19 EP disclosed