SCHEMBL7300413

SCHEMBL7300413

NN=CN1CCC[C@@H](CC[C@H](NS(=O)(=O)c2ccc(C3CCCC3)cc2)C(=O)N(CCC(=O)O)C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
ST14 Q9Y5Y6 5/20 0.40
F10 P00742 4/20 0.40
PLG P00747 4/20 0.40
PLAU P00749 4/20 0.40
MMP9 P14780 3/20 0.38
MMP2 P08253 2/20 0.38
HPN P05981 1/20 0.35
HGFAC Q04756 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MMP8 P22894 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
MMP13 P45452 1/20 0.34
ADAMTS4 O75173 1/20 0.34

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
Hydrochloric Acid SCHEMBL7306256 0.91 F2 (0.41) F2ST14F10PLGPLAU
SCHEMBL7300402 0.88 F2 (0.48) F2ST14F10PLGPLAU
SCHEMBL27383153 0.80 F2 (0.47) F2ST14F10PLGPLAU
Hydrochloric Acid SCHEMBL8947669 0.80 F2 (0.47) F2ST14F10PLGPLAU
SCHEMBL7303162 0.78 F2 (0.44) F2
SCHEMBL7305122 0.77 F2 (0.59) F2
SCHEMBL7294199 0.76 F2 (0.44) F2
SCHEMBL7299071 0.76 MMP2 (0.40) F2ST14MMP9MMP2HPN
SCHEMBL7294015 0.75 MMP2 (0.39) F2ST14MMP9MMP2HPN
SCHEMBL7299083 0.74 F2 (0.44) F2

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 4 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-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