Sugi Predict

Sugi Predict / Compounds / SCHEMBL29444580

SCHEMBL29444580

SCHEMBL29444580

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.62
▸ KISS1R Q969F8 7/20 0.61
▸ IL23R Q5VWK5 2/20 0.58
▸ NPY2R P49146 2/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ CXCR4 P61073 5/20 0.57
▸ GHSR Q92847 2/20 0.55
▸ F11 P03951 1/20 0.55

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
SCHEMBL31373855 0.90 C5AR1 (0.58) C5AR1KISS1RIL23RCXCR4
SCHEMBL30646301 0.88 CXCR4 (0.66) C5AR1KISS1RIL23RNPY2RNPY1R
SCHEMBL29416050 0.88 CXCR4 (0.66) C5AR1KISS1RIL23RNPY2RNPY1R
SCHEMBL29827497 0.88 NPY2R (0.69) C5AR1KISS1RNPY2RNPY1RNPY4R
SCHEMBL29425255 0.88 C5AR1 (0.68) C5AR1KISS1RNPY2RNPY1RNPY4R
SCHEMBL31482959 0.88 CXCR4 (0.67) C5AR1KISS1RIL23RNPY2RNPY1R
SCHEMBL30864786 0.88 C5AR1 (0.59) C5AR1KISS1RIL23RNPY2RNPY1R
SCHEMBL29425245 0.88 GNRHR (0.62) C5AR1KISS1RNPY2RNPY1RNPY4R
SCHEMBL38662279 0.88 KISS1R (0.58) C5AR1KISS1RCXCR4
SCHEMBL29511552 0.87 CXCR4 (0.57) C5AR1KISS1RIL23RCXCR4

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-109734780-B Cell-penetrating peptide and preparation method and application thereof 南阳师范学院 2022-03-01 — — CN claimed
CN-109734780-B Cell-penetrating peptide and preparation method and application thereof 南阳师范学院 2022-03-01 — — CN disclosed
CN-109734780-B Cell-penetrating peptide and preparation method and application thereof 南阳师范学院 2022-03-01 — — CN disclosed
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