SCHEMBL7305031

SCHEMBL7305031

CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCCOCc1ccccc1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.43
ACACB O00763 1/20 0.42
F10 P00742 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
NPY5R Q15761 1/20 0.40

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
SCHEMBL8716563 0.90 F2 (0.46) F2F10PLGPLATPRSS1
SCHEMBL8719946 0.90 F2 (0.46) F2F10PLGPLATPRSS1
SCHEMBL7304106 0.88 ACACB (0.46) F2ACACBF10PLGPLAT
SCHEMBL7299684 0.86 ACACB (0.45) F2ACACBF10PLGPLAT
SCHEMBL7324356 0.84 F10 (0.47) F2ACACBF10
SCHEMBL7303910 0.83 ACACB (0.43) F2ACACBF10PLGPLAT
SCHEMBL7302360 0.82 ACACB (0.45) F2ACACBF10PLGPLAT
SCHEMBL7324374 0.80 F2 (0.41) F2ACACBF10PLGPLAT
SCHEMBL7305037 0.80 F2 (0.42) F2ACACBF10PLGPLAT
SCHEMBL7332989 0.79 F2 (0.47) F2ACACBF10PLGPLAT

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