SCHEMBL3308394

SCHEMBL3308394

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.38
NPY1R P25929 9/20 0.38
NPY5R Q15761 8/20 0.38
NPY2R P49146 5/20 0.38
ANPEP P15144 2/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 1/20 0.35
KISS1R Q969F8 2/20 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
SCHEMBL2782827 0.88 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL11596017 0.88 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RKISS1R
Hydrochloric Acid SCHEMBL11137955 0.88 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RANPEP
Hydrochloric Acid SCHEMBL11596923 0.88 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RKISS1R
Hydrochloric Acid SCHEMBL11141478 0.85 NPY4R (0.34) NPY4RNPY1RNPY5RNPY2RANPEP
Hydrochloric Acid SCHEMBL11141960 0.82 NPY4R (0.34) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11143301 0.82 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RANPEP
Hydrochloric Acid SCHEMBL11140618 0.82 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11141892 0.81 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RANPEP
Hydrochloric Acid SCHEMBL11141902 0.80 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2R

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
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed