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Sugi Predict / Compounds / SCHEMBL31402804

SCHEMBL31402804

SCHEMBL31402804

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 13/20 0.71
▸ ECE1 P42892 1/20 0.67
▸ MUS81 Q96NY9 1/20 0.67
▸ PTH1R Q03431 6/20 0.65
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ CCKBR P32239 1/20 0.65
▸ GCGR P47871 1/20 0.64
▸ GIPR P48546 1/20 0.64

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
SCHEMBL31547376 0.98 GLP1R (0.70) GLP1RECE1MUS81PTH1RNPY1R
SCHEMBL30466505 0.93 IL23R (0.62) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29479845 0.93 GLP1R (0.69) GLP1RECE1MUS81PTH1RNPY1R
SCHEMBL31000908 0.92 NPY2R (0.72) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31000884 0.91 NPY2R (0.75) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30726576 0.91 GLP1R (0.69) GLP1RECE1MUS81PTH1RNPY1R
SCHEMBL31000894 0.90 GLP1R (0.69) GLP1RECE1MUS81NPY1RNPY2R
SCHEMBL29649219 0.90 GLP1R (0.63) GLP1RECE1MUS81PTH1R
SCHEMBL29679739 0.90 GLP1R (0.65) GLP1RECE1MUS81PTH1RNPY1R
SCHEMBL30906440 0.90 KEAP1 (0.68) GLP1RPTH1R

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-119751590-A Small molecule peptide composition for promoting natural bezoar production by plant source 北京知筹科技有限公司 2025-04-04 — — CN claimed
CN-119751590-A Small molecule peptide composition for promoting natural bezoar production by plant source 北京知筹科技有限公司 2025-04-04 — — CN disclosed
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