SCHEMBL30459251

SCHEMBL30459251

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.53
▸ NTSR2 O95665 10/20 0.53
▸ NTSR1 P30989 10/20 0.53
▸ SORT1 Q99523 9/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ OPRD1 P41143 3/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 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
SCHEMBL30457966 0.90 MAPK8 (0.53) RENNTSR2NTSR1SORT1MAPK8
SCHEMBL38660201 0.87 AGTR1 (0.50) RENNTSR2NTSR1SORT1MAPK8
SCHEMBL31362702 0.86 MAPK8 (0.51) RENNTSR2NTSR1SORT1MAPK8
SCHEMBL31362700 0.86 NTSR2 (0.51) NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL31362672 0.85 NMUR2 (0.50) MAPK8MAPK9MAPK10OPRD1AGTR1
SCHEMBL29727282 0.85 NTSR2 (0.52) NTSR2NTSR1SORT1OPRD1AGTR1
SCHEMBL31219332 0.85 REN (0.54) RENNTSR2NTSR1SORT1MAPK8
SCHEMBL31467755 0.84 OPRM1 (0.53) OPRD1
SCHEMBL30458665 0.84 OPRM1 (0.58) NTSR2NTSR1SORT1OPRD1
SCHEMBL38659426 0.84 AGTR2 (0.52) RENNTSR2NTSR1SORT1MAPK8

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
CN-116444614-A Dipeptidyl peptidase-IV inhibiting peptide and application thereof 华南理工大学 2023-07-18 — — CN claimed
CN-116444614-A Dipeptidyl peptidase-IV inhibiting peptide and application thereof 华南理工大学 2023-07-18 — — CN disclosed
CN-116444614-A Dipeptidyl peptidase-IV inhibiting peptide and application thereof 华南理工大学 2023-07-18 — — CN disclosed
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