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Sugi Predict / Compounds / SCHEMBL29416026

SCHEMBL29416026

SCHEMBL29416026

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.64
▸ GLP1R P43220 10/20 0.62
▸ CCKBR P32239 2/20 0.62
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ CALCR P30988 4/20 0.59
▸ KEAP1 Q14145 1/20 0.59
▸ GCGR P47871 6/20 0.59
▸ GIPR P48546 6/20 0.59
▸ 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 0.92 KEAP1 (0.64) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182590 0.91 GLP1R (0.68) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL29416193 0.91 KEAP1 (0.63) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29563057 0.91 NPY1R (0.65) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30495787 0.91 C5AR1 (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182774 0.90 GLP1R (0.65) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30658220 0.89 GLP1R (0.72) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL31182946 0.89 GLP1R (0.64) CXCR4GLP1RCCKBRCALCRGCGR
SCHEMBL29965312 0.89 NPY1R (0.68) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL31182875 0.88 NPY1R (0.69) CXCR4GLP1RCCKBRNPY1RNPY2R

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 5 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
EP-4275688-A2 METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH Nymox Corporation (BS) 2023-11-15 — — EP 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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