SCHEMBL38660201

SCHEMBL38660201

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.50
▸ AGTR2 P50052 2/20 0.50
▸ BDKRB2 P30411 1/20 0.50
▸ NTSR2 O95665 7/20 0.49
▸ NTSR1 P30989 7/20 0.49
▸ SORT1 Q99523 6/20 0.49
▸ OPRD1 P41143 3/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ REN P00797 1/20 0.46
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL38659426 0.97 AGTR2 (0.52) AGTR1AGTR2BDKRB2NTSR2NTSR1
SCHEMBL30459251 0.87 REN (0.53) AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL31362700 0.86 NTSR2 (0.51) NTSR2NTSR1SORT1OPRD1NMUR2
SCHEMBL17887956 0.85 BDKRB2 (0.51) BDKRB2OPRD1NMUR2NMUR1OPRM1
SCHEMBL29727282 0.85 NTSR2 (0.52) AGTR1AGTR2NTSR2NTSR1SORT1
SCHEMBL31191392 0.84 OPRD1 (0.52) NTSR2NTSR1SORT1OPRD1NMUR2
SCHEMBL8072324 0.84 BDKRB2 (0.58) BDKRB2OPRD1NMUR2NMUR1OPRM1
SCHEMBL31191418 0.83 NMUR2 (0.56) NTSR2NTSR1SORT1OPRD1NMUR2
SCHEMBL31191386 0.83 MAPK8 (0.56) NTSR2NTSR1SORT1OPRD1NMUR2
SCHEMBL31585947 0.83 NTSR1 (0.56) AGTR1AGTR2NTSR2NTSR1SORT1

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-122036846-A Orally absorbable DPP-IV (dipeptidyl peptidase IV) inhibitory tetrapeptides and derivatives and application thereof 自然资源部第三海洋研究所 2026-05-15 — — CN disclosed
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