SCHEMBL30268594

SCHEMBL30268594

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 4/20 0.66
▸ KISS1R Q969F8 9/20 0.65
▸ C5AR1 P21730 2/20 0.59
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ DPP3 Q9NY33 3/20 0.58
▸ CTNNB1 P35222 1/20 0.54

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
SCHEMBL31307225 0.95 IL23R (0.65) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL31468796 0.94 KISS1R (0.64) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL29973644 0.93 KISS1R (0.66) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL30023454 0.93 DPP3 (0.64) IL23RKISS1RC5AR1DPP3
SCHEMBL34470137 0.92 KISS1R (0.67) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL13319650 0.92 IL23R (0.63) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL31410855 0.90 KISS1R (0.65) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL30716436 0.89 KISS1R (0.63) IL23RKISS1RC5AR1NPY1RNPY2R
SCHEMBL34463648 0.89 KISS1R (0.62) IL23RKISS1RC5AR1DPP3
SCHEMBL31729497 0.88 SLC6A2 (0.62) IL23RKISS1RC5AR1DPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724908-A Composition for preventing non-viral hepatitis and preparation method and application thereof 合肥工业大学 2023-03-03 — — CN claimed
CN-115724908-B Composition for preventing non-viral hepatitis and preparation method and application thereof 合肥工业大学 2025-12-19 — — CN disclosed
CN-115724908-A Composition for preventing non-viral hepatitis and preparation method and application thereof 合肥工业大学 2023-03-03 — — CN disclosed
CN-115724908-A Composition for preventing non-viral hepatitis and preparation method and application thereof 合肥工业大学 2023-03-03 — — CN disclosed
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