SCHEMBL29416120

SCHEMBL29416120

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.58
▸ CCKBR P32239 4/20 0.58
▸ CXCR4 P61073 2/20 0.57
▸ CALCR P30988 4/20 0.56
▸ HCRTR1 O43613 1/20 0.56
▸ HCRTR2 O43614 1/20 0.56
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53
▸ NMBR P28336 1/20 0.53
▸ GRPR P30550 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ F2 P00734 3/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52

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
SCHEMBL30272465 0.96 CXCR4 (0.58) GLP1RCCKBRCXCR4CALCRHCRTR1
SCHEMBL29812703 0.89 GLP1R (0.63) GLP1RCCKBRCXCR4CALCRGCGR
SCHEMBL31182867 0.87 CALCR (0.63) GLP1RCCKBRCXCR4CALCRGCGR
SCHEMBL29706175 0.87 GLP1R (0.64) GLP1RCCKBRCXCR4CALCRGCGR
SCHEMBL30527917 0.87 GLP1R (0.66) GLP1RCCKBRCXCR4CALCRHCRTR1
SCHEMBL31307904 0.86 CXCR4 (0.68) GLP1RCXCR4CALCRGCGRGIPR
SCHEMBL29695449 0.85 GLP1R (0.58) GLP1RCCKBRCXCR4CALCRGCGR
SCHEMBL29812659 0.85 GLP1R (0.70) GLP1RCCKBRCALCRHCRTR1HCRTR2
SCHEMBL10587346 0.84 CXCR4 (0.65) GLP1RCCKBRCXCR4CALCR
SCHEMBL30436336 0.84 CXCR4 (0.65) GLP1RCCKBRCXCR4CALCRHCRTR1

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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