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Sugi Predict / Compounds / SCHEMBL29554598

SCHEMBL29554598

SCHEMBL29554598

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)NOC(C)(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](COC(C)(C)C)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.37
▸ OPRD1 P41143 6/20 0.36
▸ CCKBR P32239 5/20 0.36
▸ CCKAR P32238 5/20 0.36
▸ CTSS P25774 2/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ PSMB9 P28065 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB10 P40306 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CTSD P07339 1/20 0.36

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
SCHEMBL31088668 0.97 REN (0.36) RENOPRD1CCKBRCCKARCTSS
SCHEMBL29555524 0.93 OPRD1 (0.41) RENOPRD1CCKBRCCKARPSMB1
SCHEMBL30647311 0.92 REN (0.32) RENOPRD1CCKBRCCKARCTSS
SCHEMBL30096878 0.90 REN (0.37) RENOPRD1CCKBRCCKARCTSS
SCHEMBL29555339 0.87 OPRM1 (0.39) OPRD1CCKBRCCKARPSMB8PSMB9
SCHEMBL29824489 0.87 OPRD1 (0.37) RENOPRD1CCKBRCCKAR
SCHEMBL30437952 0.86 REN (0.40) RENOPRD1CCKBRCCKAR
SCHEMBL30438040 0.84 GLP1R (0.38) RENOPRD1
SCHEMBL30836804 0.84 REN (0.42) RENOPRD1CCKBRCCKAR
SCHEMBL31094168 0.82 REN (0.38) RENOPRD1CCKBRCCKARCTSS

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
EP-3708577-B1 TREATMENT OF BILIARY CIRRHOSIS BASED ON OXYNTOMODULIN ANALOGUE GLP-1R/GCGR DUAL-TARGET AGONIST PEPTIDE SHENZHEN TURIER BIOTECH CO LTD (CN) 2024-09-04 — — EP disclosed
WO-2022061924-A1 GLP-1R/GCGR DUAL-TARGET AGONIST PEPTIDE DERIVATIVES FOR TREATMENT OF VIRAL HEPATITIS-RELATED HEPATIC FIBROSIS 深圳市图微安创科技开发有限公司 2022-03-31 — — WO disclosed
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