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SCHEMBL29973756

SCHEMBL29973756

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 17/20 0.67
▸ IL23R Q5VWK5 2/20 0.57
▸ CXCR4 P61073 1/20 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
SCHEMBL29973204 0.99 NPBWR1 (0.65) NPBWR1IL23RCXCR4
SCHEMBL29973052 0.98 NPBWR1 (0.68) NPBWR1IL23RCXCR4
SCHEMBL31461886 0.92 NPBWR1 (0.61) NPBWR1IL23R
SCHEMBL31461987 0.91 NPBWR1 (0.62) NPBWR1IL23R
SCHEMBL30712936 0.90 NPBWR1 (0.63) NPBWR1IL23RCXCR4
SCHEMBL31514295 0.90 NPBWR1 (0.69) NPBWR1IL23R
SCHEMBL31593263 0.88 NPBWR1 (0.62) NPBWR1IL23RCXCR4
SCHEMBL30712899 0.88 RXFP1 (0.63) NPBWR1IL23R
SCHEMBL29464016 0.88 NPBWR1 (0.73) NPBWR1
SCHEMBL31078370 0.87 NPBWR1 (0.57) NPBWR1CXCR4

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed