SCHEMBL7299062

SCHEMBL7299062

N=C(N)N1CCC[C@H](NC(=O)C[C@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)N(CCC(=O)O)C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.43
ST14 Q9Y5Y6 3/20 0.42
HPN P05981 2/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL7294009 0.90 F2 (0.41) F2ST14HPNMMP2MMP9
SCHEMBL7299071 0.89 MMP2 (0.40) F2ST14HPNMMP2MMP9
SCHEMBL8719658 0.84 F2 (0.46) F2ST14HPNMMP2MMP9
SCHEMBL7294015 0.78 MMP2 (0.39) F2ST14HPNMMP2MMP9
SCHEMBL8947654 0.78 F2 (0.55) F2
SCHEMBL7294190 0.77 F2 (0.55) F2
SCHEMBL7303156 0.76 F2 (0.38) F2
SCHEMBL7300402 0.76 F2 (0.48) F2ST14F10PLGPLAU
SCHEMBL8947691 0.75 F2 (0.55) F2
Acetic Acid SCHEMBL8947636 0.75 F2 (0.54) F2ST14HPN

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 7 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 claimed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US claimed
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 claimed
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-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