SCHEMBL29416106

SCHEMBL29416106

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ KDM1A O60341 2/20 0.54
▸ KEAP1 Q14145 1/20 0.54
▸ CALCRL Q16602 2/20 0.53
▸ REN P00797 4/20 0.52
▸ CALCR P30988 4/20 0.52
▸ F2 P00734 2/20 0.51
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50
▸ CRHR1 P34998 1/20 0.50
▸ CRHR2 Q13324 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
SCHEMBL31462076 0.87 MAPK8 (0.63) MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30607472 0.86 KDM1A (0.57) MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30804679 0.86 MAPK8 (0.62) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30607434 0.85 MAPK8 (0.66) MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL31462001 0.85 MAPK8 (0.61) MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL31462119 0.84 MAPK8 (0.60) MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30607405 0.84 NPY2R (0.60) MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL29949610 0.84 KDM1A (0.65) MAPK8MAPK9MAPK10KDM1ACALCR
SCHEMBL31461991 0.83 MAPK8 (0.61) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30437130 0.83 MAPK8 (0.65) MAPK8MAPK9MAPK10KDM1AKEAP1

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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