SCHEMBL29416113

SCHEMBL29416113

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.63
▸ C5AR1 P21730 2/20 0.62
▸ NPY1R P25929 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ NPY5R Q15761 1/20 0.60
▸ GLP1R P43220 5/20 0.60
▸ GCGR P47871 3/20 0.60
▸ NMBR P28336 2/20 0.59
▸ GRPR P30550 2/20 0.59
▸ CCKBR P32239 2/20 0.59
▸ CALCR P30988 4/20 0.58
▸ F2 P00734 3/20 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
SCHEMBL30883220 0.92 CXCR4 (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30571153 0.91 NMBR (0.65) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30658362 0.90 NMBR (0.65) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29743013 0.89 C5AR1 (0.59) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30358196 0.89 CALCR (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30432443 0.89 GLP1R (0.59) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29588702 0.89 CALCR (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452912 0.88 GLP1R (0.64) CXCR4C5AR1GLP1RGCGRCCKBR
SCHEMBL30881892 0.88 C5AR1 (0.70) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30518949 0.88 C5AR1 (0.69) CXCR4C5AR1GLP1RGCGRNMBR

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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