SCHEMBL30015428

SCHEMBL30015428

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.63
▸ NPY1R P25929 9/20 0.63
▸ NPY5R Q15761 8/20 0.63
▸ NPY2R P49146 5/20 0.63
▸ KISS1R Q969F8 4/20 0.58
▸ TFPI P10646 1/20 0.58

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
SCHEMBL38651101 0.92 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29575231 0.91 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30576938 0.90 TFPI (0.68) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30513687 0.90 KISS1R (0.67) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31332213 0.90 NPY4R (0.70) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30512630 0.90 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30381408 0.89 NPY4R (0.75) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30602870 0.88 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29690710 0.88 NPY4R (0.75) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29557832 0.88 KISS1R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R

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-112694429-B Polypeptide and application thereof in preparing ACE inhibitor or blood pressure lowering product 江苏医药职业学院 2022-08-19 — — CN disclosed
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