SCHEMBL7304964

SCHEMBL7304964

NN=CN1CCC(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CCC(=O)O)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.48
NPY5R Q15761 1/20 0.44
F10 P00742 2/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
ST14 Q9Y5Y6 2/20 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
SCHEMBL8947750 0.94 F2 (0.48) F2NPY5RF10PLGPLAU
Hydrochloric Acid SCHEMBL8947720 0.93 F2 (0.49) F2NPY5RF10PLGPLAU
SCHEMBL7303269 0.90 F2 (0.52) F2
SCHEMBL8947777 0.89 F2 (0.59) F2F10PLGPLAUST14
Hydrochloric Acid SCHEMBL7305109 0.88 F2 (0.53) F2
Hydrochloric Acid SCHEMBL8947689 0.85 F2 (0.47) F2NPY5R
SCHEMBL8947784 0.85 F2 (0.52) F2
SCHEMBL8947765 0.85 F2 (0.53) F2
Hydrochloric Acid SCHEMBL8947747 0.84 F2 (0.53) F2
Acetic Acid SCHEMBL8947565 0.84 F2 (0.53) 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