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SCHEMBL30607296

SCHEMBL30607296

CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.63
▸ NPY4R P50391 8/20 0.63
▸ NPY5R Q15761 8/20 0.63
▸ NPY1R P25929 6/20 0.63
▸ RAMP3 O60896 10/20 0.57
▸ CALCR P30988 10/20 0.57
▸ EP300 Q09472 1/20 0.57
▸ HIF1A Q16665 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
SCHEMBL30726569 0.93 RAMP3 (0.63) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30262203 0.92 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29479782 0.91 EP300 (0.60) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30358164 0.91 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30429358 0.91 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31683337 0.90 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30429234 0.90 EP300 (0.62) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30277957 0.89 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30712958 0.89 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30432226 0.89 EP300 (0.62) NPY2RNPY4RNPY5RNPY1RRAMP3

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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