SCHEMBL30607279

SCHEMBL30607279

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.68
▸ NPY2R P49146 1/20 0.68
▸ NPY4R P50391 1/20 0.68
▸ NPY5R Q15761 1/20 0.68
▸ GLP1R P43220 11/20 0.68
▸ C5AR1 P21730 1/20 0.68
▸ CCKBR P32239 2/20 0.66
▸ CXCR4 P61073 4/20 0.66
▸ GCGR P47871 4/20 0.64
▸ NMBR P28336 1/20 0.64
▸ GRPR P30550 1/20 0.64
▸ GIPR P48546 1/20 0.63

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
SCHEMBL31182660 0.96 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495687 0.94 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182507 0.94 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30932068 0.93 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182679 0.93 GLP1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29429581 0.92 NPY1R (0.74) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29429583 0.92 NPY1R (0.74) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30429333 0.92 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30403572 0.92 GLP1R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658295 0.91 GLP1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R

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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