SCHEMBL22430697

SCHEMBL22430697

C=C1COCCN1c1ccc(N2CC(CNC(=O)c3ccc(Cl)s3)CC2=C)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.60
ABCB11 O95342 1/20 0.60
F2 P00734 1/20 0.60
ST14 Q9Y5Y6 1/20 0.60

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
SCHEMBL16189805 0.84 F10 (0.83) F10ABCB11F2ST14
SCHEMBL8101662 0.84 F10 (0.74) F10ABCB11F2ST14
SCHEMBL13977416 0.84 F10 (0.74) F10ABCB11F2ST14
SCHEMBL5482932 0.80 F10 (0.72) F10ABCB11F2ST14
SCHEMBL469775 0.76 F10 (0.54) F10ABCB11F2ST14
SCHEMBL13068882 0.76 F10 (0.85) F10ABCB11F2ST14
Rivaroxaban SCHEMBL77766 0.75 F10 (1.00) F10ABCB11F2ST14
Rivaroxaban SCHEMBL7721848 0.75 F10 (1.00) F10ABCB11F2ST14
Rivaroxaban SCHEMBL3914 0.75 F10 (1.00) F10ABCB11F2ST14
SCHEMBL8210599 0.74 F10 (0.55) F10ABCB11F2ST14

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
WO-2020181860-A1 METHOD FOR PREPARING RIVAROXABAN INTERMEDIATE 浙江天宇药业股份有限公司 2020-09-17 WO disclosed