SCHEMBL30570969

SCHEMBL30570969

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.56
BACE1 P56817 9/20 0.51
BACE2 Q9Y5Z0 3/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NPY4R P50391 1/20 0.51
NTSR2 O95665 1/20 0.48
NTSR1 P30989 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CTSD P07339 1/20 0.47

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
SCHEMBL29611460 0.96 NPY4R (0.54) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL29611583 0.94 NPY1R (0.52) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL30570979 0.94 NPY4R (0.57) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL29611639 0.93 OPRD1 (0.57) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL29612192 0.91 OPRD1 (0.51) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL31243887 0.91 OPRD1 (0.53) OPRD1BACE1BACE2CTSD
SCHEMBL29363254 0.90 NPY1R (0.54) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL30641532 0.90 NPY1R (0.54) OPRD1BACE1BACE2NPY1RNPY2R
SCHEMBL30373869 0.90 OPRD1 (0.61) OPRD1BACE1BACE2CASP3CASP7
SCHEMBL29489423 0.90 NPY1R (0.51) OPRD1BACE1BACE2NPY1RNPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589528-A Lumbricus guangdong characteristic peptide and application thereof 江阴天江药业有限公司 2023-08-15 CN claimed
CN-116589528-A Lumbricus guangdong characteristic peptide and application thereof 江阴天江药业有限公司 2023-08-15 CN disclosed