SCHEMBL29416123

SCHEMBL29416123

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.60
▸ C5AR1 P21730 2/20 0.59
▸ F2 P00734 4/20 0.58
▸ OPRD1 P41143 3/20 0.58
▸ CCKBR P32239 2/20 0.57
▸ GLP1R P43220 2/20 0.57
▸ CXCL8 P10145 1/20 0.55
▸ GNRHR P30968 1/20 0.54
▸ KISS1R Q969F8 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ TACR1 P25103 1/20 0.54
▸ CALCR P30988 2/20 0.54
▸ NMBR P28336 1/20 0.54
▸ GRPR P30550 1/20 0.54

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
SCHEMBL30527917 0.89 GLP1R (0.66) CXCR4F2CCKBRGLP1RCXCL8
SCHEMBL29416022 0.89 CXCR4 (0.72) CXCR4C5AR1CCKBRGLP1R
SCHEMBL31182778 0.87 GLP1R (0.68) CXCR4C5AR1CCKBRGLP1RCALCR
SCHEMBL30595218 0.87 GNRHR (0.64) CXCR4C5AR1F2OPRD1CXCL8
SCHEMBL30362528 0.87 C5AR1 (0.55) CXCR4C5AR1F2OPRD1GNRHR
SCHEMBL30572393 0.87 C5AR1 (0.61) C5AR1CCKBRGLP1RGNRHRKISS1R
SCHEMBL29749763 0.86 C5AR1 (0.68) CXCR4C5AR1GLP1RGNRHR
SCHEMBL30072008 0.86 F2 (0.64) C5AR1F2CCKBRGLP1RCXCL8
SCHEMBL30216268 0.86 F2 (0.67) CXCR4F2OPRD1CCKBRGLP1R
SCHEMBL29416081 0.86 DPP3 (0.58) CXCR4CXCL8GNRHRKISS1ROPRM1

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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