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SCHEMBL29416134

SCHEMBL29416134

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)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)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.64
▸ GLP1R P43220 7/20 0.62
▸ CCKBR P32239 2/20 0.62
▸ CXCR4 P61073 5/20 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

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
SCHEMBL29416084 0.94 NPY1R (0.65) C5AR1GLP1RCCKBRCXCR4NPY1R
SCHEMBL30692442 0.93 NPY1R (0.71) C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL29416095 0.93 NPY1R (0.71) C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL30646306 0.92 NPY1R (0.72) C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL29416039 0.90 CXCR4 (0.65) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30527936 0.90 CXCR4 (0.65) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29991271 0.89 GLP1R (0.73) C5AR1GLP1RCCKBRCXCR4NPY1R
SCHEMBL29625328 0.89 C5AR1 (0.65) C5AR1GLP1RCCKBRCXCR4NPY1R
SCHEMBL31182715 0.89 NPY1R (0.70) C5AR1GLP1RCCKBRCXCR4NPY1R
SCHEMBL31182507 0.89 NPY1R (0.72) C5AR1GLP1RCCKBRCXCR4NPY1R

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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