SCHEMBL4701932

SCHEMBL4701932

O=C(C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.77
F2 P00734 3/20 0.77
KLKB1 P03952 3/20 0.77
PLAT P00750 1/20 0.51

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
SCHEMBL4704858 0.93 F10 (0.77) F10F2KLKB1PLAT
SCHEMBL4706510 0.93 F10 (0.76) F10F2KLKB1PLAT
SCHEMBL4702043 0.91 F10 (0.81) F10F2KLKB1PLAT
SCHEMBL4702708 0.90 F10 (0.75) F10F2KLKB1PLAT
SCHEMBL4704772 0.89 F10 (0.76) F10F2KLKB1PLAT
SCHEMBL8337497 0.89 F10 (0.76) F10F2KLKB1PLAT
SCHEMBL4706210 0.89 F10 (0.76) F10F2KLKB1PLAT
SCHEMBL4704748 0.89 F10 (0.81) F10F2KLKB1PLAT
SCHEMBL4758989 0.89 F10 (0.76) F10F2KLKB1PLAT
SCHEMBL6230939 0.89 F10 (0.78) F10F2KLKB1PLAT

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-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed