SCHEMBL7445644

SCHEMBL7445644

N=C(N)NCCC[C@H](N)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.35
NPY1R P25929 6/20 0.35
NPY2R P49146 4/20 0.35
NPY5R Q15761 4/20 0.35
C3AR1 Q16581 1/20 0.34
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
MMP2 P08253 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL2876318 0.88 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RC3AR1
SCHEMBL1765973 0.82 PADI1 (0.43) C3AR1
SCHEMBL7888149 0.80 NOS1 (0.40) NPY4RNPY1RNPY2RNPY5RANPEP
Hydrochloric Acid SCHEMBL7876078 0.79 NOS1 (0.39) NPY4RNPY1RNPY2RNPY5RANPEP
Trifluoroacetic Acid SCHEMBL8526449 0.77 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RANPEP
SCHEMBL3192649 0.76 CYP1A2 (0.42)
Arginine SCHEMBL26914670 0.74 KIF11 (0.46) NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL28268971 0.74 OTC (0.53)
SCHEMBL3834508 0.73 LTA4H (0.38)
SCHEMBL757757 0.73 C3AR1 (0.39) C3AR1

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-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
WO-1998024760-A1 AMINOBENZENEDICARBOXYLIC ACID-BASED COMBINATORIAL LIBRARIES GRAYBILL TODD L (US) 1998-06-11 WO disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed