SCHEMBL30415481

SCHEMBL30415481

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.62
▸ C5AR1 P21730 2/20 0.62
▸ IL23R Q5VWK5 3/20 0.62
▸ MC4R P32245 2/20 0.60
▸ MC5R P33032 2/20 0.60
▸ MC3R P41968 2/20 0.60
▸ MC1R Q01726 2/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ NPY5R Q15761 1/20 0.60
▸ EED O75530 1/20 0.56
▸ APLNR P35414 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ PTH1R Q03431 1/20 0.53

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
SCHEMBL31154425 0.91 CXCR4 (0.65) CXCR4C5AR1IL23RMC4RMC5R
SCHEMBL30432026 0.90 NPY2R (0.66) CXCR4C5AR1IL23RMC4RMC5R
SCHEMBL31457379 0.89 NPY2R (0.69) CXCR4C5AR1IL23RNPY1RNPY2R
SCHEMBL30615288 0.88 CXCR4 (0.68) CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30404538 0.88 KEAP1 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30431371 0.87 NPY2R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30432945 0.87 NPY1R (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31688315 0.87 NPY2R (0.64) CXCR4C5AR1IL23RMC4RMC5R
SCHEMBL31547374 0.86 GLP1R (0.70) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31409436 0.86 CXCR4 (0.63) CXCR4IL23RNPY1RNPY2RNPY4R

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-116019766-A Amino acid polypeptide antibacterial gel and preparation method and application thereof 陕西文锐医疗器械有限公司 2023-04-28 — — CN disclosed
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