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SCHEMBL29416193

SCHEMBL29416193

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.63
▸ GLP1R P43220 14/20 0.62
▸ GCGR P47871 6/20 0.62
▸ GIPR P48546 6/20 0.62
▸ CCKBR P32239 2/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ NPY5R Q15761 1/20 0.60
▸ CALCR P30988 1/20 0.59
▸ CXCR4 P61073 1/20 0.58
▸ C5AR1 P21730 1/20 0.58

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
SCHEMBL30646308 1.00 KEAP1 (0.64) KEAP1GLP1RGCGRGIPRCCKBR
SCHEMBL29416026 0.91 CXCR4 (0.64) KEAP1GLP1RGCGRGIPRCCKBR
SCHEMBL30658220 0.91 GLP1R (0.72) GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL31182590 0.91 GLP1R (0.68) GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL29416095 0.91 NPY1R (0.71) GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30692442 0.91 NPY1R (0.71) GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30429121 0.91 MAPK8 (0.65) KEAP1GLP1RGCGRGIPRNPY1R
SCHEMBL30646306 0.91 NPY1R (0.72) GLP1RGCGRCCKBRNPY1RNPY2R
SCHEMBL30721629 0.89 GLP1R (0.70) KEAP1GLP1RGCGRGIPRCCKBR
SCHEMBL31182539 0.89 NPY1R (0.68) KEAP1GLP1RGCGRGIPRCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381984-B Compositions and methods for improving sexual function 尼莫克斯股份有限公司 2023-11-28 — — CN disclosed
CN-116785403-A Neurofilament peptides for preventing or slowing the progression of prostate cancer 尼莫克斯股份有限公司 2023-09-22 — — CN disclosed
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
CN-114099636-A Method of treating a condition requiring cell destruction or removal using peptides derived from neurofilament proteins 尼莫克斯制药公司 2022-03-01 — — CN disclosed
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