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SCHEMBL29416065

SCHEMBL29416065

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=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](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)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 12/20 0.65
▸ CXCR4 P61073 3/20 0.64
▸ CXCL8 P10145 3/20 0.60
▸ C5AR1 P21730 1/20 0.58

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
SCHEMBL30646312 0.99 KISS1R (0.65) KISS1RCXCR4CXCL8C5AR1
SCHEMBL30272499 0.93 CXCR4 (0.70) KISS1RCXCR4C5AR1
SCHEMBL29416243 0.93 CXCR4 (0.70) KISS1RCXCR4C5AR1
SCHEMBL29415968 0.93 CXCR4 (0.64) KISS1RCXCR4CXCL8C5AR1
SCHEMBL30272519 0.92 CXCR4 (0.65) KISS1RCXCR4CXCL8C5AR1
SCHEMBL30527870 0.91 CXCR4 (0.69) KISS1RCXCR4CXCL8
SCHEMBL29416034 0.91 CXCR4 (0.69) KISS1RCXCR4CXCL8
SCHEMBL29416050 0.91 CXCR4 (0.66) KISS1RCXCR4C5AR1
SCHEMBL30646301 0.91 CXCR4 (0.66) KISS1RCXCR4C5AR1
SCHEMBL31683258 0.91 CXCR4 (0.71) KISS1RCXCR4CXCL8C5AR1

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 4 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
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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