SCHEMBL30607408

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

nearest known ligand 0.59

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.59

▸	CXCR4	P61073	2/20	0.56

▸	CALCR	P30988	4/20	0.55

▸	GLP1R	P43220	3/20	0.55

▸	CCKBR	P32239	2/20	0.55

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	CTSL	P07711	2/20	0.53

▸	CTSS	P25774	2/20	0.53

▸	CTSK	P43235	2/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	F2	P00734	4/20	0.53

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	NMBR	P28336	1/20	0.52

▸	GRPR	P30550	1/20	0.52

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
SCHEMBL29655661	0.89	C5AR1 (0.63)	C5AR1CXCR4GLP1RCTSLCTSS
SCHEMBL29461511	0.87	GLP1R (0.62)	C5AR1CXCR4CALCRGLP1RCCKBR
SCHEMBL31462346	0.87	C5AR1 (0.58)	C5AR1CALCRGLP1RCCKBRNPY1R
SCHEMBL31462341	0.87	C5AR1 (0.58)	C5AR1CALCRGLP1RCCKBRNPY1R
SCHEMBL30767709	0.86	GLP1R (0.61)	C5AR1CXCR4CALCRGLP1RCCKBR
SCHEMBL30729468	0.86	NPY1R (0.61)	CXCR4CALCRGLP1RNPY1RNPY2R
SCHEMBL30904766	0.86	C5AR1 (0.65)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30355006	0.86	C5AR1 (0.64)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30531928	0.85	C5AR1 (0.60)	C5AR1CXCR4GLP1RCCKBRCTSL
SCHEMBL29756048	0.85	C5AR1 (0.63)	C5AR1CXCR4CTSLCTSSCTSK

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