SCHEMBL29837232

SCHEMBL29837232

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.59
▸ OPRD1 P41143 4/20 0.59
▸ IL1RN P18510 3/20 0.57
▸ ERAP2 Q6P179 3/20 0.57
▸ ERAP1 Q9NZ08 1/20 0.57
▸ KISS1R Q969F8 5/20 0.57
▸ OPRK1 P41145 1/20 0.56
▸ NPBWR1 P48145 7/20 0.54
▸ IL23R Q5VWK5 1/20 0.54

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
SCHEMBL29837119 0.88 OPRM1 (0.67) OPRM1OPRD1IL1RNERAP2ERAP1
SCHEMBL30198958 0.87 OPRM1 (0.60) OPRM1OPRD1IL1RNERAP2ERAP1
SCHEMBL30198946 0.87 ERAP2 (0.58) OPRM1OPRD1IL1RNERAP2ERAP1
SCHEMBL31228839 0.85 OPRM1 (0.70) OPRM1OPRD1IL1RNERAP2ERAP1
SCHEMBL30596173 0.85 IL23R (0.65) KISS1RIL23R
SCHEMBL29822493 0.84 KISS1R (0.65) IL1RNERAP2ERAP1KISS1R
SCHEMBL31442261 0.84 OPRD1 (0.71) OPRM1OPRD1IL1RNERAP2KISS1R
SCHEMBL30596084 0.84 IL23R (0.64) OPRM1OPRD1KISS1RIL23R
SCHEMBL30257557 0.84 OPRD1 (0.59) OPRM1OPRD1IL1RNERAP2ERAP1
SCHEMBL30503009 0.83 OPRD1 (0.57) OPRM1OPRD1IL1RNERAP2ERAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891084-B Application of gene recombinant sea cucumber peptide rAj-HRP in antitumor drugs 辽宁省海洋水产科学研究院 2023-03-24 — — CN disclosed
CN-114891084-A Application of gene recombinant sea cucumber peptide rAj-HRP in antitumor drugs 辽宁省海洋水产科学研究院 2022-08-12 — — CN disclosed
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