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Sugi Predict / Compounds / SCHEMBL29416087

SCHEMBL29416087

SCHEMBL29416087

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 6/20 0.65
▸ HCRTR1 O43613 1/20 0.62
▸ HCRTR2 O43614 1/20 0.62
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ F2 P00734 4/20 0.54
▸ CCKBR P32239 2/20 0.54
▸ GLP1R P43220 2/20 0.54
▸ NPY2R P49146 4/20 0.53
▸ NPY4R P50391 4/20 0.53
▸ NPY5R Q15761 4/20 0.53
▸ NPY1R P25929 3/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53

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
SCHEMBL30945136 0.91 CALCR (0.69) CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30883232 0.89 CALCR (0.71) CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30804650 0.89 CALCR (0.72) CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30495820 0.88 CALCR (0.69) CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL31182797 0.87 CALCR (0.70) CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30883208 0.87 CALCR (0.68) CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30431873 0.87 CALCR (0.70) CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL29903311 0.87 CALCR (0.60) CALCRHCRTR1HCRTR2F2GLP1R
SCHEMBL30495819 0.87 NPY2R (0.59) CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL31182860 0.86 CALCR (0.77) CALCRHCRTR1HCRTR2CRHR1CRHR2

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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