SCHEMBL29416022

SCHEMBL29416022

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.72
▸ C5AR1 P21730 2/20 0.71
▸ GLP1R P43220 6/20 0.62
▸ GCGR P47871 3/20 0.62
▸ CCKBR P32239 2/20 0.61
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ MC4R P32245 1/20 0.60
▸ MC5R P33032 1/20 0.60
▸ MC3R P41968 1/20 0.60
▸ MC1R Q01726 1/20 0.60

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
SCHEMBL29750088 0.93 C5AR1 (0.72) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL15987247 0.92 CXCR4 (0.81) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL31183002 0.92 CXCR4 (0.71) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL31457381 0.91 GLP1R (0.72) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL30862322 0.91 C5AR1 (0.68) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL30862329 0.91 CXCR4 (0.69) CXCR4C5AR1GLP1RGCGR
SCHEMBL29749763 0.91 C5AR1 (0.68) CXCR4C5AR1GLP1RNPY1RNPY2R
SCHEMBL31182740 0.90 NPY2R (0.72) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL30432159 0.90 C5AR1 (0.73) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL30432609 0.90 CXCR4 (0.67) CXCR4C5AR1GLP1RGCGR

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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