SCHEMBL38659426

SCHEMBL38659426

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.52
▸ AGTR1 P30556 2/20 0.52
▸ BDKRB2 P30411 1/20 0.52
▸ NTSR2 O95665 6/20 0.51
▸ NTSR1 P30989 6/20 0.51
▸ SORT1 Q99523 6/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.48
▸ NMUR1 Q9HB89 1/20 0.48
▸ REN P00797 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ EPHA2 P29317 1/20 0.48

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
SCHEMBL38660201 0.97 AGTR1 (0.50) AGTR2AGTR1BDKRB2NTSR2NTSR1
SCHEMBL8072324 0.86 BDKRB2 (0.58) BDKRB2OPRD1OPRM1NMUR2NMUR1
SCHEMBL31585947 0.85 NTSR1 (0.56) AGTR2AGTR1NTSR2NTSR1SORT1
SCHEMBL31129141 0.85 C5AR1 (0.59) NTSR1OPRD1OPRM1EPHA2
SCHEMBL6861253 0.84 OPRD1 (0.59) AGTR2AGTR1NTSR2NTSR1SORT1
SCHEMBL30393693 0.84 OPRD1 (0.54) BDKRB2OPRD1OPRM1
SCHEMBL9739189 0.84 BDKRB2 (0.61) BDKRB2OPRD1OPRM1NMUR2NMUR1
SCHEMBL9739197 0.84 BDKRB2 (0.61) BDKRB2OPRD1OPRM1NMUR2NMUR1
SCHEMBL30459251 0.84 REN (0.53) AGTR2AGTR1NTSR2NTSR1SORT1
SCHEMBL31296998 0.83 NPY2R (0.57) NTSR1OPRD1NMUR2NMUR1MAPK8

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 claimed
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