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SCHEMBL29416084

SCHEMBL29416084

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)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.65
▸ NPY2R P49146 2/20 0.65
▸ NPY4R P50391 2/20 0.65
▸ NPY5R Q15761 2/20 0.65
▸ CXCR4 P61073 7/20 0.63
▸ GLP1R P43220 6/20 0.60
▸ C5AR1 P21730 1/20 0.60
▸ IL23R Q5VWK5 2/20 0.58
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57
▸ CCKBR P32239 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
SCHEMBL30527936 0.96 CXCR4 (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29416039 0.96 CXCR4 (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29416134 0.94 C5AR1 (0.64) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182522 0.91 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29416095 0.90 NPY1R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30692442 0.90 NPY1R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30646306 0.90 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30930560 0.90 NPY1R (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30485538 0.90 CXCR4 (0.69) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29421088 0.89 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4

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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