SCHEMBL30607392

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.65

▸	GLP1R	P43220	8/20	0.64

▸	CCKBR	P32239	4/20	0.64

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	GCGR	P47871	3/20	0.60

▸	CALCR	P30988	4/20	0.60

▸	KISS1R	Q969F8	3/20	0.59

▸	NMBR	P28336	1/20	0.59

▸	GRPR	P30550	1/20	0.59

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
SCHEMBL30176473	0.91	CALCR (0.64)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30712932	0.91	F2 (0.65)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182775	0.90	GLP1R (0.64)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL31182843	0.90	F2 (0.62)	C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL30883220	0.90	CXCR4 (0.64)	C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182548	0.90	GLP1R (0.70)	C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182929	0.90	CALCR (0.72)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL29638062	0.89	GLP1R (0.74)	C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL29638067	0.89	GLP1R (0.74)	C5AR1GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182512	0.89	CALCR (0.64)	GLP1RCCKBRNPY1RNPY2RNPY4R

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