SCHEMBL30444544

SCHEMBL30444544

CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.58
DPP3 Q9NY33 3/20 0.57
XIAP P98170 5/20 0.52
OPRM1 P35372 1/20 0.51
POLB P06746 1/20 0.51
SLC6A2 P23975 1/20 0.50
CTRC Q99895 1/20 0.49

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
SCHEMBL29580259 0.96 DPP3 (0.59) CMA1DPP3XIAPOPRM1POLB
SCHEMBL31362684 0.90 CALCRL (0.60) CMA1OPRM1POLBSLC6A2
SCHEMBL31114351 0.90 SLC6A2 (0.54) DPP3XIAPOPRM1SLC6A2
SCHEMBL29579575 0.89 CMA1 (0.58) CMA1XIAPOPRM1POLBSLC6A2
SCHEMBL29973755 0.89 DPP3 (0.56) CMA1DPP3XIAPOPRM1SLC6A2
SCHEMBL29638288 0.86 DPP3 (0.58) DPP3XIAPOPRM1SLC6A2
SCHEMBL30616201 0.86 DPP3 (0.58) CMA1DPP3OPRM1SLC6A2
SCHEMBL29580824 0.85 POLB (0.56) CMA1OPRM1POLBSLC6A2
SCHEMBL15231898 0.84 SLC6A2 (0.59) CMA1DPP3XIAPOPRM1SLC6A2
SCHEMBL15231343 0.84 SLC6A2 (0.59) CMA1DPP3XIAPOPRM1SLC6A2

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-113769062-B Application of polypeptide VAPFPE in improving blood lipid metabolism and regulating intestinal flora disorder 南京师范大学 2023-06-20 CN disclosed