SCHEMBL29416024

SCHEMBL29416024

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 9/20 0.62
▸ KEAP1 Q14145 1/20 0.58
▸ GLP1R P43220 4/20 0.56
▸ CALCR P30988 3/20 0.56
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55

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
SCHEMBL30262193 0.93 PTH1R (0.64) PTH1RKEAP1GLP1RCALCR
SCHEMBL30567726 0.90 GLP1R (0.58) PTH1RKEAP1GLP1RCALCRCRHR1
SCHEMBL31190181 0.90 PTH1R (0.61) PTH1RGLP1R
SCHEMBL29586748 0.90 KEAP1 (0.66) PTH1RKEAP1GLP1RCALCRCRHR1
SCHEMBL31182441 0.90 GLP1R (0.66) KEAP1GLP1RCALCRCRHR1CRHR2
SCHEMBL31182663 0.89 CALCR (0.63) PTH1RKEAP1GLP1RCALCRCRHR1
Teriparatide SCHEMBL30645329 0.89 PTH1R (0.80) PTH1RKEAP1GLP1R
SCHEMBL30176478 0.89 PTH1R (0.62) PTH1RGLP1RCALCRCRHR1CRHR2
SCHEMBL30529017 0.89 PTH1R (0.65) PTH1RKEAP1GLP1RCALCRCRHR1
SCHEMBL30979202 0.89 GLP1R (0.64) PTH1RKEAP1GLP1RCALCRCRHR1

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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