Sugi Predict

Sugi Predict / Compounds / SCHEMBL30527917

SCHEMBL30527917

SCHEMBL30527917

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.66
▸ CCKBR P32239 4/20 0.66
▸ CALCR P30988 4/20 0.61
▸ F2 P00734 4/20 0.61
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58
▸ CXCL8 P10145 2/20 0.57
▸ CXCR4 P61073 2/20 0.57

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
SCHEMBL29416107 0.91 GLP1R (0.69) GLP1RCCKBRCALCRCXCR4
SCHEMBL30692441 0.90 GLP1R (0.69) GLP1RCCKBRCALCR
SCHEMBL30530323 0.90 GLP1R (0.69) GLP1RCCKBRCALCR
SCHEMBL29812659 0.90 GLP1R (0.70) GLP1RCCKBRCALCRF2HCRTR1
SCHEMBL29416123 0.89 CXCR4 (0.60) GLP1RCCKBRCALCRF2CXCL8
SCHEMBL29706295 0.88 GLP1R (0.70) GLP1RCCKBRCALCRF2
SCHEMBL31366365 0.87 NMBR (0.61) GLP1RCCKBRCALCRF2
SCHEMBL30504132 0.87 F2 (0.62) GLP1RCCKBRCALCRF2
SCHEMBL31182929 0.87 CALCR (0.72) GLP1RCCKBRCALCR
SCHEMBL29416120 0.87 GLP1R (0.58) GLP1RCCKBRCALCRF2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109310732-B Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-07-21 — — CN disclosed
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