SCHEMBL7305089

SCHEMBL7305089

COC(=O)CN(CC1CCCCC1)C(=O)[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
F2 P00734 14/20 0.45
F10 P00742 2/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 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
SCHEMBL8717104 0.90 F2 (0.47) F2F10PLGPLATPRSS1
SCHEMBL7306450 0.81 F2 (0.43) ACACBF2F10PLGPLAT
SCHEMBL8719583 0.80 F2 (0.48) F2F10PLGPLATPRSS1
SCHEMBL7332615 0.79 F2 (0.49) F2F10PLGPLATPRSS1
SCHEMBL7332989 0.78 F2 (0.47) ACACBF2F10PLGPLAT
SCHEMBL7299684 0.78 ACACB (0.45) ACACBF2F10PLGPLAT
SCHEMBL7327272 0.77 GAA (0.42) ACACBF2PLGPLAT
SCHEMBL7302360 0.77 ACACB (0.45) ACACBF2F10PLGPLAT
SCHEMBL7334523 0.77 GAA (0.42) ACACBF2PLGPLAT
SCHEMBL7304106 0.77 ACACB (0.46) ACACBF2F10PLGPLAT

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