SCHEMBL30607404

SCHEMBL30607404

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 10)

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
▸ F2 P00734 4/20 0.62
▸ CALCR P30988 4/20 0.56
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ NMUR2 Q9GZQ4 2/20 0.55
▸ NMUR1 Q9HB89 2/20 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
SCHEMBL31182956 0.89 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL29973255 0.89 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL29903278 0.88 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL30432324 0.87 F2 (0.62) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL31000876 0.87 CALCR (0.61) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL29479810 0.87 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL30607381 0.86 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL31000918 0.86 RAMP3 (0.58) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL30547468 0.86 AGTR2 (0.56) F2CRHR1CRHR2
SCHEMBL29410248 0.86 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RF2

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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