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Sugi Predict / Compounds / SCHEMBL30648449

SCHEMBL30648449

SCHEMBL30648449

CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.52
▸ F2 P00734 4/20 0.51
▸ CALCR P30988 4/20 0.51
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49

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
SCHEMBL30307498 0.92 GLP1R (0.56) GLP1RF2CALCRCRHR1CRHR2
SCHEMBL29967663 0.88 GLP1R (0.64) GLP1RF2CALCRCRHR1CRHR2
SCHEMBL38665153 0.88 CALCR (0.51) GLP1RF2CALCRCRHR1CRHR2
SCHEMBL30536324 0.87 F2 (0.49) GLP1RF2CALCRCRHR1CRHR2
SCHEMBL30436167 0.87 GLP1R (0.54) GLP1RCALCRCRHR1CRHR2
SCHEMBL30658361 0.86 CALCR (0.63) GLP1RCALCRCRHR1CRHR2
SCHEMBL30804670 0.86 CALCR (0.57) GLP1RF2CALCRCRHR1CRHR2
SCHEMBL30536319 0.85 F2 (0.46) GLP1RF2
SCHEMBL30168720 0.84 GLP1R (0.58) GLP1RF2CALCR
SCHEMBL30168687 0.84 GLP1R (0.58) GLP1RF2CALCR

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-116948034-B Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2024-06-25 — — CN disclosed
CN-116948034-A Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2023-10-27 — — CN disclosed
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