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Sugi Predict / Compounds / SCHEMBL29415968

SCHEMBL29415968

SCHEMBL29415968

CC(C)C[C@H](N)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)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.64
▸ KISS1R Q969F8 3/20 0.59
▸ C5AR1 P21730 1/20 0.58
▸ CXCL8 P10145 6/20 0.58
▸ EPHA2 P29317 2/20 0.57

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
SCHEMBL30272519 0.99 CXCR4 (0.65) CXCR4KISS1RC5AR1CXCL8
SCHEMBL29416065 0.93 KISS1R (0.65) CXCR4KISS1RC5AR1CXCL8
SCHEMBL30646312 0.93 KISS1R (0.65) CXCR4KISS1RC5AR1CXCL8
SCHEMBL29416243 0.91 CXCR4 (0.70) CXCR4KISS1RC5AR1
SCHEMBL30272499 0.91 CXCR4 (0.70) CXCR4KISS1RC5AR1
SCHEMBL31290071 0.91 CXCR4 (0.61) CXCR4KISS1RC5AR1
SCHEMBL30670487 0.90 CXCR4 (0.64) CXCR4KISS1RC5AR1CXCL8
SCHEMBL30571131 0.89 C5AR1 (0.59) KISS1RC5AR1CXCL8
SCHEMBL29379177 0.89 KISS1R (0.67) CXCR4KISS1R
SCHEMBL31607206 0.88 CXCR4 (0.61) CXCR4KISS1R

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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