SCHEMBL29416039

SCHEMBL29416039

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=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](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.65
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ C5AR1 P21730 1/20 0.61
▸ IL23R Q5VWK5 5/20 0.60
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56

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
SCHEMBL30527936 1.00 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416084 0.96 NPY1R (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416134 0.90 C5AR1 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29618035 0.89 CXCR4 (0.72) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29672871 0.89 IL23R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31622299 0.88 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31707333 0.88 CXCR4 (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182522 0.88 NPY2R (0.71) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452905 0.87 CXCR4 (0.62) CXCR4C5AR1IL23R
SCHEMBL31622296 0.87 C5AR1 (0.71) 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 3 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-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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