SCHEMBL13188643

SCHEMBL13188643

CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)N1C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CCCNC(=N)N)[C@@H](C)O)CC1=O)C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.56
NPY1R P25929 9/20 0.56
NPY5R Q15761 8/20 0.56
NPY2R P49146 5/20 0.56
KEAP1 Q14145 2/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KISS1R Q969F8 1/20 0.44

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
SCHEMBL13188046 1.00 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL10075166 0.98 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2623540 0.96 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2623546 0.96 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL10074914 0.93 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL13188059 0.92 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2632331 0.91 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2632424 0.91 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2632373 0.91 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL10074918 0.89 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010105367-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS VALORISATION-RECHERCHE SOCIETE EN COMMANDITE (CA) 2010-09-23 WO disclosed
WO-2010106441-A2 PEPTIDOMIMETICS FOR MODULATING INTERLEUKIN-1 RECEPTOR CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2010-09-23 WO disclosed