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Sugi Predict / Compounds / SCHEMBL29416064

SCHEMBL29416064

SCHEMBL29416064

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.62
▸ PTH1R Q03431 7/20 0.60
▸ APLNR P35414 1/20 0.59
▸ CXCL8 P10145 1/20 0.59
▸ MC4R P32245 1/20 0.58
▸ MC5R P33032 1/20 0.58
▸ MC3R P41968 1/20 0.58
▸ MC1R Q01726 1/20 0.58
▸ C5AR1 P21730 1/20 0.58
▸ IL23R Q5VWK5 1/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 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
SCHEMBL31186277 0.90 MC4R (0.61) CXCR4PTH1RAPLNRCXCL8MC4R
SCHEMBL30578730 0.89 NPY1R (0.70) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL31433346 0.88 CXCR4 (0.59) CXCR4APLNRMC4RMC5RMC3R
SCHEMBL29867926 0.88 CXCR4 (0.65) CXCR4PTH1RCXCL8NPY1RNPY2R
SCHEMBL29697149 0.88 CXCR4 (0.65) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30786584 0.88 CXCR4 (0.64) CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL30786596 0.88 CXCR4 (0.64) CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL29819538 0.87 NPY1R (0.66) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL31307176 0.87 CXCR4 (0.65) CXCR4PTH1RIL23RNPY1RNPY2R
SCHEMBL31452904 0.87 CTSL (0.62) CXCR4CXCL8MC4RMC5RMC3R

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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