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SCHEMBL30607315

SCHEMBL30607315

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.61
▸ EP300 Q09472 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ CALCR P30988 5/20 0.57
▸ RAMP3 O60896 3/20 0.57
▸ EPHA2 P29317 2/20 0.57
▸ KDM1A O60341 2/20 0.57
▸ MAOB P27338 1/20 0.57
▸ KDM5A P29375 1/20 0.57
▸ KDM1B Q8NB78 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
SCHEMBL30432811 0.92 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182743 0.92 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31174208 0.91 CALCR (0.62) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495807 0.89 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30906429 0.89 EPHA2 (0.60) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495601 0.89 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29530680 0.88 CALCR (0.67) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29461492 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30712942 0.88 APLNR (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31452906 0.88 KDM1A (0.57) NPY2RNPY4RNPY5RNPY1RCALCR

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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