SCHEMBL30866942

SCHEMBL30866942

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.55
▸ NPY1R P25929 9/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ BACE1 P56817 3/20 0.54
▸ NPY2R P49146 5/20 0.52
▸ GNPAT O15228 1/20 0.48

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
SCHEMBL30866924 0.92 NPY4R (0.56) NPY4RNPY1RNPY5RBACE1NPY2R
SCHEMBL29968102 0.92 BACE1 (0.58) NPY4RNPY1RNPY5RBACE1
SCHEMBL29394453 0.91 NPY4R (0.61) NPY4RNPY1RNPY5RBACE1NPY2R
SCHEMBL30302999 0.90 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2RGNPAT
SCHEMBL30866935 0.89 NPY4R (0.62) NPY4RNPY1RNPY5RBACE1NPY2R
SCHEMBL30198934 0.89 BACE1 (0.52) NPY4RNPY1RNPY5RBACE1NPY2R
SCHEMBL30345254 0.88 NPY4R (0.58) NPY4RNPY1RNPY5RBACE1NPY2R
SCHEMBL30331308 0.87 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30866922 0.87 NPY4R (0.56) NPY4RNPY1RNPY5RBACE1NPY2R
SCHEMBL31184376 0.87 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RGNPAT

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-112961212-B ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 河南省农业科学院农副产品加工研究中心 2024-03-29 — — CN disclosed
Send feedback