SCHEMBL29683365

SCHEMBL29683365

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](C)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 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.51
▸ CCKBR P32239 7/20 0.51
▸ CCKAR P32238 6/20 0.51
▸ GLP1R P43220 3/20 0.47
▸ TFPI P10646 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
SCHEMBL29728184 0.95 TFPI (0.50) OPRD1CCKBRCCKARGLP1RTFPI
SCHEMBL31069954 0.87 OPRD1 (0.51) OPRD1CCKBRCCKARGLP1R
SCHEMBL30668514 0.87 OPRD1 (0.53) OPRD1CCKBRCCKAR
SCHEMBL30350802 0.86 OPRD1 (0.53) OPRD1CCKBRCCKAR
SCHEMBL29555813 0.84 ACE (0.53) —
SCHEMBL30512633 0.84 F2 (0.49) OPRD1GLP1R
SCHEMBL29635274 0.83 TFPI (0.55) TFPI
SCHEMBL31181956 0.83 OPRD1 (0.51) OPRD1
SCHEMBL30974519 0.83 ACE (0.55) OPRD1
SCHEMBL29679934 0.82 F2 (0.52) OPRD1CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874292-A Multi-target chimeric peptide compound, preparation method and application thereof 南通大学 2022-08-09 — — CN claimed
CN-113072620-B PD-1 targeting peptide with analgesic activity, and synthesis method and application thereof 南通大学 2022-07-05 — — CN claimed
CN-118878633-A Application of multi-target peptide in preparing analgesic drug 南通大学 2024-11-01 — — CN disclosed
CN-118684732-A Method for preparing AT-01 by liquid phase fragment condensation 南通大学 2024-09-24 — — CN disclosed
CN-114874292-A Multi-target chimeric peptide compound, preparation method and application thereof 南通大学 2022-08-09 — — CN disclosed
CN-113072620-B PD-1 targeting peptide with analgesic activity, and synthesis method and application thereof 南通大学 2022-07-05 — — CN disclosed
Send feedback