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Sugi Predict / Compounds / SCHEMBL29416004

SCHEMBL29416004

SCHEMBL29416004

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ CALCR P30988 5/20 0.59
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ F2 P00734 4/20 0.57
▸ RAMP3 O60896 1/20 0.56
▸ EP300 Q09472 1/20 0.56
▸ HIF1A Q16665 1/20 0.56

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
SCHEMBL31182495 0.90 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30512494 0.90 MAPK8 (0.54) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30116695 0.90 C5AR1 (0.57) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30198767 0.89 CALCR (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607396 0.89 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432802 0.89 CALCR (0.56) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29742990 0.88 MAPK8 (0.61) CALCRMAPK8MAPK9MAPK10F2
SCHEMBL31182755 0.88 CALCR (0.60) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29416246 0.88 CALCR (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29695646 0.88 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR

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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