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Sugi Predict / Compounds / SCHEMBL30607284

SCHEMBL30607284

SCHEMBL30607284

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 4/20 0.64
▸ NPY4R P50391 4/20 0.64
▸ NPY5R Q15761 4/20 0.64
▸ NPY1R P25929 3/20 0.64
▸ C5AR1 P21730 1/20 0.59
▸ IL23R Q5VWK5 1/20 0.59
▸ CALCA P06881 2/20 0.59
▸ GLP1R P43220 7/20 0.58
▸ CXCR4 P61073 2/20 0.58
▸ KEAP1 Q14145 1/20 0.58
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56

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
SCHEMBL30432210 0.90 C5AR1 (0.66) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30081077 0.89 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30867029 0.89 CXCR4 (0.63) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30456690 0.88 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RIL23R
SCHEMBL29989757 0.88 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RIL23R
SCHEMBL30456977 0.88 NPY1R (0.66) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31182745 0.88 NPY1R (0.71) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31683367 0.88 CXCR4 (0.62) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29993338 0.88 NPY1R (0.67) NPY2RNPY4RNPY5RNPY1RIL23R
SCHEMBL29430215 0.87 IL23R (0.69) NPY2RNPY4RNPY5RNPY1RIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12383505-B2 Nanoparticle for the remodeling of cancer-associated fibroblasts UNIVERSITY OF SOUTH CAROLINA (US) 2025-08-12 — — US disclosed
US-20230310331-A1 NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS UNIVERSITY OF SOUTH CAROLINA (US) 2023-10-05 — — US disclosed
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