SCHEMBL29416256

SCHEMBL29416256

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 4/20 0.55
▸ NTSR1 P30989 4/20 0.55
▸ SORT1 Q99523 4/20 0.55
▸ CXCR4 P61073 3/20 0.55
▸ F13A1 P00488 1/20 0.53
▸ TGM2 P21980 1/20 0.53
▸ REN P00797 4/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ CCKBR P32239 2/20 0.51
▸ GLP1R P43220 2/20 0.51
▸ DPP3 Q9NY33 2/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50

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
SCHEMBL30216754 0.90 NTSR2 (0.62) NTSR2NTSR1SORT1CXCR4F13A1
SCHEMBL29913297 0.89 NTSR2 (0.65) NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL33376070 0.87 GLP1R (0.61) CXCR4CCKBRGLP1R
SCHEMBL30974309 0.86 OPRD1 (0.62) NTSR2NTSR1SORT1OPRM1OPRD1
SCHEMBL29716758 0.86 CXCR4 (0.60) CXCR4OPRD1NPY1RNPY2RNPY4R
SCHEMBL30600981 0.85 NPY1R (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL10587346 0.85 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262240 0.84 NPY1R (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436566 0.84 NTSR2 (0.60) NTSR2NTSR1SORT1CXCR4F13A1
SCHEMBL30085016 0.84 CXCR4 (0.57) NTSR2NTSR1SORT1CXCR4F13A1

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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