SCHEMBL29416061

SCHEMBL29416061

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ MAPK10 P53779 1/20 0.63
▸ APLNR P35414 1/20 0.60
▸ CALCR P30988 4/20 0.53
▸ SLC40A1 Q9NP59 1/20 0.53
▸ REN P00797 1/20 0.53
▸ F2 P00734 4/20 0.51
▸ NTSR2 O95665 3/20 0.51
▸ NTSR1 P30989 3/20 0.51
▸ SORT1 Q99523 2/20 0.51
▸ C5AR1 P21730 1/20 0.50

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
SCHEMBL30272472 0.91 APLNR (0.57) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30429121 0.90 MAPK8 (0.65) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30455824 0.89 MAPK8 (0.57) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30692723 0.88 APLNR (0.58) MAPK8MAPK9MAPK10APLNRREN
SCHEMBL38662088 0.88 APLNR (0.63) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31182889 0.87 MAPK8 (0.68) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31691539 0.87 APLNR (0.61) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL29359023 0.87 AGTR2 (0.66) APLNRCALCRF2NTSR2NTSR1
SCHEMBL31544391 0.87 AGTR1 (0.62) APLNRCALCRF2NTSR2NTSR1
SCHEMBL31281747 0.86 MAPK8 (0.60) MAPK8MAPK9MAPK10APLNRCALCR

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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