SCHEMBL7303910

SCHEMBL7303910

CCOC(=O)CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
PLAT P00750 2/20 0.43
PLAU P00749 1/20 0.43
F2 P00734 11/20 0.43
GAA P10253 1/20 0.41
PLG P00747 2/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL7302360 0.92 ACACB (0.45) ACACBPLATPLAUF2GAA
SCHEMBL7304106 0.92 ACACB (0.46) ACACBPLATF2PLGF10
SCHEMBL7299684 0.91 ACACB (0.45) ACACBPLATF2PLGF10
SCHEMBL7332989 0.89 F2 (0.47) ACACBPLATF2PLGF10
SCHEMBL7332615 0.89 F2 (0.49) PLATF2PLGF10PRSS1
SCHEMBL8719583 0.88 F2 (0.48) PLATF2PLGF10PRSS1
SCHEMBL7324356 0.86 F10 (0.47) ACACBF2F10
SCHEMBL7295250 0.85 L3MBTL1 (0.39) F10
SCHEMBL8716997 0.85 ACACB (0.45) ACACBPLATPLAUF2GAA
SCHEMBL9163451 0.85 ACACB (0.45) ACACBPLATPLAUF2GAA

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 6 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
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US 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