SCHEMBL30607459

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.62

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	KEAP1	Q14145	2/20	0.57

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	GLP1R	P43220	6/20	0.56

▸	IL23R	Q5VWK5	1/20	0.55

▸	ECE1	P42892	1/20	0.54

▸	MUS81	Q96NY9	1/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	PRLHR	P49683	1/20	0.54

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
SCHEMBL30804660	0.89	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906468	0.88	NPY2R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29903312	0.88	IL23R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495825	0.88	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658313	0.88	NPY2R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30433133	0.87	NPY1R (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658345	0.87	NPY2R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30536327	0.87	NPY2R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29624137	0.87	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31232547	0.86	C5AR1 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R

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