SCHEMBL30003633

SCHEMBL30003633

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 6/20 0.59
▸ NMUR2 Q9GZQ4 5/20 0.55
▸ NMUR1 Q9HB89 5/20 0.55
▸ OPRM1 P35372 7/20 0.53
▸ OPRK1 P41145 6/20 0.53
▸ OPRD1 P41143 1/20 0.51
▸ CXCR4 P61073 1/20 0.51
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 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
SCHEMBL30932611 0.95 EPHA2 (0.59) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL29474446 0.93 EPHA2 (0.57) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31356488 0.91 EPHA2 (0.58) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31741322 0.87 EPHA2 (0.66) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29474445 0.86 RAMP3 (0.50) EPHA2NMUR2NMUR1CXCR4
SCHEMBL30883202 0.86 MAPK8 (0.61) EPHA2CXCR4MAPK8MAPK9MAPK10
SCHEMBL31472819 0.86 NMUR2 (0.50) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL30892648 0.86 NMUR2 (0.62) EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31674472 0.86 EPHA2 (0.61) EPHA2OPRM1OPRK1CXCR4
SCHEMBL31674471 0.85 EPHA2 (0.62) EPHA2OPRM1OPRK1CXCR4

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-119241649-B Pacific-fold-and-flex-fish viscera group ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 中国水产科学研究院黄海水产研究所 2025-05-16 — — CN disclosed
CN-119241649-A Pacific-fold-and-flex-fish viscera group ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 中国水产科学研究院黄海水产研究所 2025-01-03 — — CN disclosed
CN-112661811-B Antihypertensive peptide, long-acting antihypertensive peptide and preparation method thereof 南方海洋科学与工程广东省实验室(湛江) 2022-10-21 — — CN disclosed
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