SCHEMBL30607490

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.53

▸	NPY2R	P49146	8/20	0.49

▸	NPY4R	P50391	8/20	0.49

▸	NPY5R	Q15761	8/20	0.49

▸	NPY1R	P25929	6/20	0.49

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	KEAP1	Q14145	1/20	0.48

▸	KDM1A	O60341	2/20	0.47

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.

Compound	similarity	top predicted	shared targets
SCHEMBL30432546	0.89	CALCR (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607428	0.88	CALCR (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182676	0.87	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31743444	0.86	CALCR (0.54)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30075807	0.86	PTPN1 (0.47)	CALCRKEAP1
SCHEMBL31183004	0.86	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30512661	0.85	NPY2R (0.51)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30401898	0.85	NPY2R (0.52)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29569114	0.84	NTSR1 (0.49)	CALCR
SCHEMBL29914211	0.84	PTPN1 (0.48)	CALCR

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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