SCHEMBL14520586

SCHEMBL14520586

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.60
▸ NPY1R P25929 9/20 0.60
▸ NPY5R Q15761 8/20 0.60
▸ NPY2R P49146 5/20 0.60
▸ KISS1R Q969F8 4/20 0.45

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
SCHEMBL13367326 1.00 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30656950 0.88 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30656922 0.88 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31332245 0.83 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29376517 0.82 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30174990 0.82 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31388270 0.82 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30895760 0.82 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30285520 0.82 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL16508584 0.81 NPY4R (0.66) 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
WO-2007065808-A2 NEUROPEPTIDE-2 RECEPTOR-AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 — — WO disclosed
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