SCHEMBL7299888

SCHEMBL7299888

N=C(N)N1CCC[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(I)cc2)C1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.82
MMP9 P14780 3/20 0.52
MMP2 P08253 2/20 0.50

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 SCHEMBL8918172 0.99 F2 (0.82) F2MMP9MMP2
Hydrochloric Acid SCHEMBL8574630 0.99 F2 (0.82) F2MMP9MMP2
SCHEMBL8576183 0.95 F2 (0.74) F2MMP9MMP2
SCHEMBL8605421 0.95 F2 (0.74) F2MMP9MMP2
Hydrochloric Acid SCHEMBL7292719 0.93 F2 (0.83) F2MMP9MMP2
Hydrochloric Acid SCHEMBL8918877 0.93 F2 (0.83) F2MMP9MMP2
Hydrochloric Acid SCHEMBL8921529 0.90 F2 (0.77) F2
Hydrochloric Acid SCHEMBL8575872 0.90 F2 (0.77) F2
Hydrochloric Acid SCHEMBL8917710 0.90 F2 (0.79) F2MMP9MMP2
Hydrochloric Acid SCHEMBL7300246 0.90 F2 (0.79) F2MMP9MMP2

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 9 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
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US claimed
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
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
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed