SCHEMBL30457966

SCHEMBL30457966

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)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 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ NTSR1 P30989 7/20 0.49
▸ NTSR2 O95665 6/20 0.49
▸ SORT1 Q99523 4/20 0.49
▸ REN P00797 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ AGTR2 P50052 1/20 0.48
▸ OPRD1 P41143 2/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 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
SCHEMBL30459251 0.90 REN (0.53) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL29531483 0.88 EPHA2 (0.51) OPRD1OPRM1OPRK1
SCHEMBL31415955 0.85 NTSR1 (0.58) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL29608162 0.84 MAPK8 (0.63) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31362702 0.83 MAPK8 (0.51) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL29607270 0.83 MAPK8 (0.61) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL6232455 0.83 NTSR2 (0.64) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL6232463 0.83 NTSR2 (0.64) MAPK8MAPK9MAPK10NTSR1NTSR2
SCHEMBL31362676 0.82 CALCRL (0.51) OPRD1OPRM1OPRK1
SCHEMBL31099137 0.82 OPRM1 (0.57) OPRD1OPRM1OPRK1

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 1 patent. 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 disclosed
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