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SCHEMBL29416034

SCHEMBL29416034

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.69
▸ CXCL8 P10145 10/20 0.66
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ KISS1R Q969F8 1/20 0.61

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
SCHEMBL30527870 1.00 CXCR4 (0.69) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL29416101 0.94 CXCL8 (0.69) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30272532 0.93 CXCL8 (0.66) CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30646312 0.92 KISS1R (0.65) CXCR4CXCL8KISS1R
SCHEMBL29416065 0.91 KISS1R (0.65) CXCR4CXCL8KISS1R
SCHEMBL30272499 0.91 CXCR4 (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416243 0.91 CXCR4 (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31707333 0.90 CXCR4 (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30646301 0.88 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416050 0.88 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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