SCHEMBL7369111

SCHEMBL7369111

CC(C)(C)OC(=O)N[C@@H](CCCN(C(=N)N)[N+](=O)[O-])C(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 11/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CTSS P25774 2/20 0.31
CYP2D6 P10635 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
SCHEMBL8376056 0.91 NOS3 (0.46) NOS3NOS1NOS2CA1CA2
SCHEMBL5966652 0.86 NOS3 (0.55) NOS3NOS1NOS2MEN1GAA
SCHEMBL2237559 0.86 NOS3 (0.55) NOS3NOS1NOS2MEN1GAA
SCHEMBL29690693 0.81 NOS3 (0.48) NOS3NOS1NOS2CTSKPPARG
SCHEMBL8939928 0.76 NOS3 (0.54) NOS3NOS1NOS2
SCHEMBL11024821 0.75 NOS3 (0.42) NOS3NOS1NOS2CTSKPPARG
SCHEMBL5966544 0.75 REN (0.49) NOS3NOS1NOS2CTSKPPARG
SCHEMBL7369114 0.74 MEN1 (0.44) CA1CA2CA7MEN1GAA
SCHEMBL7399188 0.74 CTSK (0.52) CA1CA2CA7MEN1GAA
SCHEMBL4820622 0.74 CTSK (0.52) CA1CA2CA7MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664786-B1 ARGININE KETO-AMIDE ENZYME INHIBITORS CORVAS INT INC (US) 1999-03-24 EP disclosed
US-5869454-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1999-02-09 US disclosed
US-5670479-A α-ketoamide derivatives as inhibitors of thrombosis CORVAS INTERNATIONAL, INC. (US) 1997-09-23 US disclosed
US-5656600-A MODIFIED POLYPEPTIDES CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
US-5597804-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1997-01-28 US disclosed
EP-0693083-A4 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INT INC (US) 1996-07-17 EP disclosed
EP-0693083-A1 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1996-01-24 EP disclosed
WO-1994021673-A1 ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-09-29 WO disclosed