SCHEMBL7306645

SCHEMBL7306645

CCOC(=O)CCN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C=NNC(=O)OCC)C1)NS(=O)(=O)c1ccccc1C(=O)OC)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.41
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.30
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL8947742 0.95 F2 (0.41) F2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8947651 0.93 F2 (0.44) F2ALDH1A1CYP19A1LMNAF10
SCHEMBL8947542 0.91 F2 (0.40) F2ALDH1A1
SCHEMBL8947624 0.88 F2 (0.44) F2ALDH1A1
SCHEMBL8947587 0.88 F2 (0.46) F2ALDH1A1F10PLGPRSS1
SCHEMBL7307422 0.87 F2 (0.55) F2
SCHEMBL7293781 0.82 F2 (0.46) F2ALDH1A1
Hydrochloric Acid SCHEMBL7295386 0.80 F2 (0.41) F2ALDH1A1
Trifluoroacetic Acid SCHEMBL8947764 0.80 F2 (0.33) F2LMNAF10PLGPRSS1
SCHEMBL8947639 0.78 F2 (0.55) 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