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Sugi Predict / Compounds / SCHEMBL29695449

SCHEMBL29695449

SCHEMBL29695449

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.58
▸ CCKBR P32239 2/20 0.58
▸ GCGR P47871 5/20 0.58
▸ C5AR1 P21730 2/20 0.57
▸ CALCR P30988 4/20 0.57
▸ NMBR P28336 2/20 0.56
▸ GRPR P30550 2/20 0.56
▸ CXCR4 P61073 1/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ GIPR P48546 2/20 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
SCHEMBL30906336 0.97 GLP1R (0.61) GLP1RCCKBRGCGRC5AR1CALCR
SCHEMBL30726621 0.92 GLP1R (0.60) GLP1RCCKBRGCGRC5AR1CALCR
SCHEMBL31000927 0.91 NMBR (0.55) GLP1RCCKBRGCGRC5AR1CALCR
SCHEMBL38662213 0.91 CALCR (0.60) GLP1RCCKBRC5AR1CALCR
SCHEMBL30540291 0.89 CALCR (0.61) GLP1RCCKBRGCGRCALCRNMBR
SCHEMBL29743013 0.89 C5AR1 (0.59) GLP1RCCKBRGCGRC5AR1CALCR
SCHEMBL29856457 0.88 CALCR (0.57) C5AR1CALCR
SCHEMBL29588160 0.87 CALCR (0.66) GLP1RCCKBRGCGRCALCRNMBR
SCHEMBL30658362 0.86 NMBR (0.65) GLP1RCCKBRGCGRC5AR1CALCR
SCHEMBL29588702 0.86 CALCR (0.64) GLP1RCCKBRGCGRCALCRNMBR

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-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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