SCHEMBL7298032

SCHEMBL7298032

CN(C(=O)[C@@H](Cc1ccccc1)N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCN(C(=N)N)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.50
F10 P00742 2/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
PLAU P00749 1/20 0.43

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
SCHEMBL7298049 0.83 F2 (0.69) F2
SCHEMBL8576462 0.77 F2 (0.52) F2F10PLAU
Hydrochloric Acid SCHEMBL8947783 0.76 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8947620 0.76 F2 (0.55) F2
Hydrochloric Acid SCHEMBL9172115 0.76 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8578705 0.76 F2 (0.63) F2F10PLGPLATPRSS1
Acetic Acid SCHEMBL8947561 0.75 F2 (0.53) F2F10PLAU
Water SCHEMBL872052 0.75 F2 (0.48) F2
Hydrochloric Acid SCHEMBL8576458 0.74 F2 (0.51) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8576456 0.73 F2 (0.62) F2F10PLGPLATPRSS1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US claimed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP claimed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP claimed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed