SCHEMBL30799397

SCHEMBL30799397

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.56
BACE1 P56817 11/20 0.55
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
NPY4R P50391 1/20 0.52
KISS1R Q969F8 4/20 0.51
CTSD P07339 1/20 0.51
PTPN1 P18031 1/20 0.50

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
SCHEMBL29798074 0.94 OPRK1 (0.58) OPRK1BACE1NPY1RNPY2RNPY4R
SCHEMBL29798029 0.91 BACE1 (0.59) OPRK1BACE1NPY1RNPY2RNPY4R
SCHEMBL29798264 0.90 BACE1 (0.64) OPRK1BACE1CTSD
SCHEMBL30799661 0.89 OPRK1 (0.60) OPRK1BACE1NPY1RNPY2RNPY4R
SCHEMBL31152919 0.89 OPRK1 (0.63) OPRK1NPY1RNPY2RNPY4R
SCHEMBL29798061 0.88 NPY4R (0.58) OPRK1BACE1NPY1RNPY2RNPY4R
SCHEMBL29798322 0.88 OPRK1 (0.61) OPRK1NPY1RNPY2RNPY4R
SCHEMBL29798016 0.88 BACE1 (0.61) BACE1KISS1RCTSD
SCHEMBL29591925 0.87 OPRK1 (0.60) OPRK1NPY1RNPY2RNPY4R
SCHEMBL30733256 0.86 OPRK1 (0.58) OPRK1BACE1NPY1RNPY2RNPY4R

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-117700483-A Liver protection peptide rapid screening method and application thereof 杭州华津药业股份有限公司 2024-03-15 CN disclosed