SCHEMBL30034864

SCHEMBL30034864

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
NPY4R P50391 1/20 0.53
OPRD1 P41143 2/20 0.52
OPRM1 P35372 1/20 0.52
ACE P12821 4/20 0.52
FOLH1 Q04609 1/20 0.49
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 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
SCHEMBL29705780 0.98 OPRD1 (0.54) NPY1RNPY2RNPY4ROPRD1OPRM1
SCHEMBL29577963 0.94 MME (0.53) OPRD1OPRM1ACE
SCHEMBL29577267 0.94 MME (0.53) OPRD1OPRM1ACE
SCHEMBL29531754 0.94 MME (0.50)
SCHEMBL30728889 0.94 MME (0.50)
SCHEMBL30400489 0.93 NPY4R (0.52) NPY1RNPY2RNPY4ROPRD1OPRM1
SCHEMBL29531502 0.93 MME (0.54) OPRD1OPRM1ACE
SCHEMBL30966067 0.93 MME (0.54) OPRD1OPRM1ACE
SCHEMBL30517753 0.92 LTA4H (0.53)
SCHEMBL30729665 0.91 FOLH1 (0.53) NPY1RNPY2RNPY4ROPRD1OPRM1

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-114569699-B Medicinal preparation for vascular endothelial cell aging 山东大学齐鲁医院(青岛) 2022-10-28 CN disclosed