SCHEMBL6244161

SCHEMBL6244161

CC(C)C[C@H](N)C(=O)OC(=O)[C@H](N)CCCNC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.45
NPY1R P25929 9/20 0.45
ANPEP P15144 3/20 0.44
RNPEP Q9H4A4 2/20 0.44
DNPEP Q9ULA0 2/20 0.44
NPY5R Q15761 8/20 0.43
NPY2R P49146 5/20 0.43
SLC7A5 Q01650 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL306128 1.00 NPY4R (0.45) NPY4RNPY1RANPEPRNPEPDNPEP
SCHEMBL28712062 0.89 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL288133 0.89 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL9237239 0.89 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL1821005 0.88 NPY4R (0.40) NPY4RNPY1RANPEPRNPEPDNPEP
SCHEMBL2125107 0.88 NPY4R (0.39) NPY4RNPY1RANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL8039440 0.88 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RDPP7
Hydrochloric Acid SCHEMBL8040222 0.88 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL15653883 0.87 NPY4R (0.41) NPY4RNPY1RANPEPRNPEPDNPEP
SCHEMBL30531669 0.87 NPY4R (0.41) NPY4RNPY1RANPEPRNPEPDNPEP

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
CN-1720258-A Tumor targeting agents and uses thereof KARYON OY (FI) 2006-01-11 CN disclosed
EP-1549669-A1 TUMOR TARGETING AGENTS AND USES THEREOF Karyon OY (FI) 2005-07-06 EP disclosed
WO-2004031221-A9 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-07-08 WO disclosed
WO-2004031221-A1 TUMOR TARGETING AGENTS AND USES THEREOF KARYON OY (FI) 2004-04-15 WO disclosed