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Sugi Predict / Compounds / SCHEMBL29416089

SCHEMBL29416089

SCHEMBL29416089

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 6/20 0.61
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ HCRTR1 O43613 1/20 0.56
▸ HCRTR2 O43614 1/20 0.56
▸ F2 P00734 4/20 0.55
▸ NPY2R P49146 7/20 0.52
▸ NPY4R P50391 7/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ NPY1R P25929 5/20 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
SCHEMBL30576894 0.89 CALCR (0.69) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30607444 0.89 CALCR (0.68) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182710 0.87 CALCR (0.68) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432409 0.87 CALCR (0.62) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182855 0.86 CALCR (0.65) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30495820 0.86 CALCR (0.69) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31000899 0.86 CALCR (0.69) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30883232 0.86 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29649214 0.86 NPY2R (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31454240 0.86 F2 (0.59) 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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