SCHEMBL29538792

SCHEMBL29538792

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.40
NPY4R P50391 4/20 0.38
NPY1R P25929 3/20 0.38
NPY2R P49146 2/20 0.38
NPY5R Q15761 2/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
KCNN4 O15554 2/20 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
SCHEMBL29549032 0.89 KIF11 (0.50) KIF11CNR1CNR2
SCHEMBL31034866 0.89 KIF11 (0.50) KIF11CNR1CNR2
SCHEMBL29549080 0.89 KIF11 (0.50) KIF11CNR1CNR2
Arginine SCHEMBL26914670 0.79 KIF11 (0.46) KIF11NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL28268971 0.79 OTC (0.53)
Arginine SCHEMBL16879777 0.78 KIF11 (0.47) KIF11NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL1287134 0.78 OTC (0.43) KIF11
Arginine SCHEMBL4606883 0.78 F10 (0.44) KIF11
SCHEMBL8768680 0.78 LTA4H (0.47) NPY4RNPY1RNPY2RNPY5RANPEP
Arginine SCHEMBL12006798 0.78 OTC (0.43) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109477094-B Peptide compounds 武田药品工业株式会社 2022-04-26 CN disclosed