SCHEMBL30544772

SCHEMBL30544772

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 18/20 0.57
NPY1R P25929 11/20 0.57
NPY5R Q15761 9/20 0.57
NPY2R P49146 7/20 0.57
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44

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
SCHEMBL31232438 1.00 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL29422322 1.00 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL30355263 0.99 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL30493150 0.98 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL31621730 0.98 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL17880650 0.98 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL29546001 0.96 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RERAP2
SCHEMBL30355277 0.96 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29385243 0.96 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30490413 0.96 NPY4R (0.62) 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
CN-116621933-A Targeted liposome for treating glioblastoma, and preparation method and application thereof 中国科学院近代物理研究所 2023-08-22 CN disclosed