SCHEMBL25518142

SCHEMBL25518142

O=C1COCCN1c1ccc(NCC(O)CNC(=C2CC2)c2ccc(Cl)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.55
ABCB11 O95342 1/20 0.53
F2 P00734 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46

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
SCHEMBL3276611 0.88 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL78971 0.88 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL2233431 0.88 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL14838723 0.80 F10 (0.56) F10ABCB11F2ST14PTGS2
SCHEMBL14838626 0.79 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL14838648 0.78 F10 (0.53) F10ABCB11F2ST14PTGS2
SCHEMBL10001459 0.78 F10 (0.65) F10ABCB11F2ST14PTGS2
SCHEMBL13739574 0.78 PTGS2 (0.56) F10PTGS2
SCHEMBL454994 0.78 PTGS2 (0.56) F10PTGS2
SCHEMBL117112 0.78 PTGS2 (0.56) F10PTGS2

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-2023088229-A1 METHOD FOR SYNTHESIZING RIVAROXABAN 浙江华海药业股份有限公司 2023-05-25 WO disclosed