SCHEMBL29416078

SCHEMBL29416078

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.57
▸ CRHR1 P34998 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ ITGB3 P05106 1/20 0.51
▸ ITGAV P06756 1/20 0.51
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ CALCRL Q16602 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49
▸ GLP1R P43220 3/20 0.49
▸ GCGR P47871 3/20 0.49
▸ F2 P00734 1/20 0.49

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
SCHEMBL30607444 0.87 CALCR (0.68) CALCRCRHR1CRHR2KEAP1HCRTR1
SCHEMBL30432942 0.86 CALCR (0.68) CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30495679 0.85 CALCR (0.55) CALCRCRHR1CRHR2CTSLCTSS
SCHEMBL29461520 0.85 CALCR (0.61) CALCRCRHR1CRHR2ITGB3ITGAV
SCHEMBL30432068 0.85 CALCR (0.66) CALCRCRHR1CRHR2CALCRLKEAP1
SCHEMBL30658564 0.84 F2 (0.58) CALCRCRHR1CRHR2CTSLCTSS
SCHEMBL31182973 0.84 CALCR (0.62) CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30432828 0.84 CALCR (0.59) CALCRCRHR1CRHR2KEAP1HCRTR1
SCHEMBL30906485 0.84 CALCR (0.67) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182920 0.83 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2

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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