SCHEMBL7304701

SCHEMBL7304701

CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.56
PLG P00747 2/20 0.56
PLAU P00749 2/20 0.56
F2 P00734 5/20 0.55
HPN P05981 1/20 0.49

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
SCHEMBL6787163 0.87 F10 (0.55) F10PLGPLAUF2HPN
SCHEMBL6786044 0.85 F10 (0.63) F10PLGPLAUF2
SCHEMBL8721773 0.85 F10 (0.63) F10PLGPLAUF2
SCHEMBL8716427 0.84 SLC1A3 (0.51) F2
SCHEMBL27489065 0.81 PLG (0.67) F10PLGPLAUF2
Hydrochloric Acid SCHEMBL6793275 0.81 PLG (0.66) F10PLGPLAUF2
SCHEMBL6794066 0.78 ACACB (0.54) F10PLGPLAUF2
SCHEMBL8548180 0.77 F10 (0.49) F10PLGPLAUF2HPN
SCHEMBL7395628 0.77 GAA (0.48) PLGPLAUF2
SCHEMBL3441384 0.77 BDKRB1 (0.51)

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-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed