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Sugi Predict / Compounds / SCHEMBL30751612

SCHEMBL30751612

SCHEMBL30751612

CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 2/20 0.54
▸ NTSR1 P30989 7/20 0.53
▸ NTSR2 O95665 4/20 0.53
▸ SORT1 Q99523 3/20 0.53
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ NPY2R P49146 2/20 0.50
▸ NPY4R P50391 2/20 0.50
▸ NPY5R Q15761 2/20 0.50
▸ NPY1R P25929 1/20 0.50

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
SCHEMBL30335654 0.91 NTSR1 (0.55) CALCRNTSR1NTSR2SORT1OPRM1
SCHEMBL29463750 0.89 CALCR (0.57) CALCRNTSR1NTSR2SORT1OPRM1
SCHEMBL30327364 0.88 OPRM1 (0.54) CALCRNTSR1NTSR2SORT1OPRM1
SCHEMBL30327462 0.86 SLC6A2 (0.59) NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL30327395 0.86 SLC6A2 (0.55) CALCRNTSR1NTSR2SORT1OPRM1
SCHEMBL30906419 0.85 CALCR (0.65) CALCROPRM1OPRD1OPRK1HCRTR1
SCHEMBL29352283 0.85 MAPK8 (0.49) CALCRNTSR1NTSR2SORT1HCRTR1
SCHEMBL32670304 0.84 SLC6A2 (0.54) CALCRNTSR1NTSR2SORT1OPRM1
SCHEMBL30277958 0.84 NPY2R (0.62) CALCRNTSR1HCRTR1HCRTR2NPY2R
SCHEMBL30130351 0.84 NTSR1 (0.61) NTSR1NTSR2SORT1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4541891-A1 NOVEL LRP1-BINDING PEPTIDE Ichimaru Pharcos Co., Ltd. (JP) 2025-04-23 — — EP disclosed
CN-119630790-A Novel LRP1 binding peptides 一丸自然美健有限公司 2025-03-14 — — CN disclosed
WO-2024029242-A1 NOVEL LRP1-BINDING PEPTIDE 一丸ファルコス株式会社 2024-02-08 — — WO disclosed
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