SCHEMBL30350095

SCHEMBL30350095

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.61
▸ C5AR1 P21730 2/20 0.58
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CTSL P07711 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSK P43235 2/20 0.55
▸ CTSH P09668 1/20 0.55
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ IL23R Q5VWK5 1/20 0.52
▸ TACR1 P25103 1/20 0.52
▸ MC4R P32245 1/20 0.51
▸ MC5R P33032 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ MC1R Q01726 1/20 0.51

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
SCHEMBL31593371 0.91 CXCR4 (0.60) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31668913 0.90 C5AR1 (0.61) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31593309 0.89 CXCR4 (0.59) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30575223 0.89 C5AR1 (0.64) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31232547 0.87 C5AR1 (0.62) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30218939 0.87 CXCR4 (0.65) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31593268 0.87 CXCR4 (0.58) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29845535 0.87 CXCR4 (0.60) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29883115 0.87 C5AR1 (0.59) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29845337 0.86 CXCR4 (0.58) CXCR4C5AR1NPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925960-A Antibody or antigen binding fragment capable of being specifically bound with creatine kinase isoenzyme and application thereof 杭州傲锐生物医药科技有限公司 2023-04-07 — — CN disclosed
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