SCHEMBL5503655

SCHEMBL5503655

O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOCC2=O)CC1.O=C1COCCN1C1CCNCC1

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.91
F2 P00734 2/20 0.68
F9 P00740 1/20 0.68
PLAT P00750 1/20 0.68
KLKB1 P03952 1/20 0.68

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
SCHEMBL1157012 0.95 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL2859110 0.83 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL2854445 0.82 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL2862509 0.82 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL2858092 0.82 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL2854447 0.82 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL1156987 0.81 F10 (1.00) F10F2F9PLATKLKB1
SCHEMBL2862268 0.81 F10 (1.00) F10F2F9PLATKLKB1
Letaxaban SCHEMBL2855505 0.81 F10 (1.00) F10F2F9PLATKLKB1
Letaxaban SCHEMBL2855504 0.81 F10 (1.00) F10F2F9PLATKLKB1

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-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO disclosed