SCHEMBL7366632

SCHEMBL7366632

Cn1cc([N+](=O)[O-])c(=O)n(CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.43
GRIK1 P39086 5/20 0.39
GRIK2 Q13002 5/20 0.39
GRIK5 Q16478 4/20 0.39
GRIK3 Q13003 4/20 0.39
GRIA1 P42261 3/20 0.39
GRIA2 P42262 3/20 0.39
GRIA3 P42263 3/20 0.39
GRIA4 P48058 3/20 0.39
GRIK4 Q16099 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
APEX1 P27695 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL7231594 0.82 ALDH1A1 (0.46) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL21685452 0.74 TSHR (0.41) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL480361 0.73 MAPT (0.50) ADORA2BKDM4ELMNAMAPTHTT
SCHEMBL3518684 0.72 GRIK1 (0.46) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL3591122 0.72 APEX1 (0.44) ADORA2BGRIA1GRIA2GRIA3GRIA4
SCHEMBL5847822 0.72 LPAR3 (0.43) AKR1B1MAPTGAA
SCHEMBL7332717 0.69 MAPT (0.33) GRIK5GRIA1GRIA2GRIA4L3MBTL1
SCHEMBL5847718 0.67 KDM4E (0.47) KDM4ELMNAMAPTHTTCMA1
SCHEMBL11504866 0.67 L3MBTL1 (0.38) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL21685619 0.67 ALDH1A1 (0.47) GRIK1GRIK2GRIK5GRIK3GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed