SCHEMBL29397176

SCHEMBL29397176

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.58
▸ NPY1R P25929 9/20 0.58
▸ NPY5R Q15761 8/20 0.58
▸ NPY2R P49146 5/20 0.58
▸ BACE1 P56817 3/20 0.54
▸ BACE2 Q9Y5Z0 1/20 0.53
▸ KISS1R Q969F8 1/20 0.52
▸ CTSB P07858 1/20 0.51

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
SCHEMBL31314356 0.92 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30310193 0.92 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL29625333 0.91 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30175896 0.90 BACE1 (0.68) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL5598820 0.90 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL5598812 0.90 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31184322 0.90 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31184376 0.90 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL8722013 0.89 BACE1 (0.58) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL8722030 0.89 BACE1 (0.58) NPY4RNPY1RNPY5RNPY2RBACE1

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
EP-4196495-A1 EXENDIN-4 PEPTIDE ANALOGUES TXP Pharma GmbH (CH) 2023-06-21 — — EP disclosed
WO-2022034062-A1 EXENDIN-4 PEPTIDE ANALOGUES TXP PHARMA AG (CH) 2022-02-17 — — WO disclosed
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