SCHEMBL30335654

SCHEMBL30335654

CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 6/20 0.55
▸ NTSR2 O95665 5/20 0.55
▸ SORT1 Q99523 4/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ CALCR P30988 3/20 0.51
▸ RAMP3 O60896 1/20 0.51

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
SCHEMBL30327364 0.95 OPRM1 (0.54) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL29463750 0.94 CALCR (0.57) NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL30327462 0.94 SLC6A2 (0.59) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL30327395 0.93 SLC6A2 (0.55) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL30751612 0.91 CALCR (0.54) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL32670304 0.89 SLC6A2 (0.54) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL32670390 0.88 SLC6A2 (0.59) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL30130351 0.88 NTSR1 (0.61) NTSR1NTSR2SORT1SLC6A2
SCHEMBL30974385 0.87 CALCRL (0.59) NTSR1NTSR2SORT1SLC6A2OPRM1
SCHEMBL30974423 0.87 NTSR1 (0.58) NTSR1NTSR2SORT1OPRM1OPRD1

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
EP-4415744-A1 PEPTIDES AND FRAGMENTS FOR TREATING DIABETES AND ASSOCIATED METABOLIC DISEASES Betavive Ltd. (IL) 2024-08-21 — — EP disclosed
WO-2023062545-A1 PEPTIDES AND FRAGMENTS FOR TREATING DIABETES AND ASSOCIATED METABOLIC DISEASES BETAVIVE LTD. (IL) 2023-04-20 — — WO disclosed
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