SCHEMBL8337288

SCHEMBL8337288

CC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(C)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.57
F2 P00734 3/20 0.57
KLKB1 P03952 3/20 0.57
ALDH1A1 P00352 1/20 0.42
PLAT P00750 1/20 0.42

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
SCHEMBL4703804 0.92 F10 (0.61) F10F2KLKB1
SCHEMBL4705607 0.92 F10 (0.56) F10F2KLKB1PLAT
SCHEMBL4704227 0.89 F10 (0.71) F10F2KLKB1PLAT
SCHEMBL4702043 0.83 F10 (0.81) F10F2KLKB1PLAT
SCHEMBL4705331 0.83 F10 (0.59) F10F2KLKB1
SCHEMBL4705501 0.83 F10 (0.57) F10F2KLKB1
SCHEMBL14143660 0.83 F10 (0.53) F10F2KLKB1PLAT
SCHEMBL5936201 0.83 F10 (0.57) F10F2KLKB1
SCHEMBL4705552 0.83 F10 (0.58) F10F2KLKB1
SCHEMBL4704211 0.81 F10 (0.70) 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
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed