SCHEMBL30607369

SCHEMBL30607369

CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.62
▸ APLNR P35414 2/20 0.61
▸ MC4R P32245 1/20 0.60
▸ C5AR1 P21730 1/20 0.60
▸ F2 P00734 4/20 0.59
▸ GLP1R P43220 4/20 0.59
▸ GCGR P47871 3/20 0.59
▸ RAMP3 O60896 1/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58

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
SCHEMBL31182502 0.89 CALCR (0.73) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30511759 0.89 CALCR (0.66) CALCRC5AR1GLP1RGCGRNPY1R
SCHEMBL30658283 0.89 CALCR (0.74) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30437384 0.89 APLNR (0.60) CALCRAPLNRMC4RGLP1RGCGR
SCHEMBL29855908 0.89 MC4R (0.68) MC4RC5AR1F2NPY1RNPY2R
SCHEMBL30261994 0.88 C5AR1 (0.65) CALCRAPLNRMC4RC5AR1GLP1R
SCHEMBL30437391 0.88 APLNR (0.67) CALCRAPLNRMC4RC5AR1GLP1R
SCHEMBL30567727 0.88 NPY2R (0.61) CALCRRAMP3NPY1RNPY2RNPY4R
SCHEMBL31464910 0.88 CALCR (0.71) CALCRAPLNRC5AR1GLP1RGCGR
SCHEMBL29880330 0.88 C5AR1 (0.64) MC4RC5AR1NPY1RNPY2RNPY4R

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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