SCHEMBL30607286

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	1/20	0.67

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	MC4R	P32245	1/20	0.63

▸	MC5R	P33032	1/20	0.63

▸	MC3R	P41968	1/20	0.63

▸	MC1R	Q01726	1/20	0.63

▸	GLP1R	P43220	9/20	0.63

▸	C5AR1	P21730	1/20	0.62

▸	KEAP1	Q14145	1/20	0.62

▸	CALCR	P30988	1/20	0.61

▸	CXCR4	P61073	3/20	0.61

▸	GCGR	P47871	3/20	0.60

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
SCHEMBL30658287	0.93	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31067646	0.92	NPY1R (0.68)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182666	0.91	CXCR4 (0.68)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658214	0.91	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30640750	0.91	CXCR4 (0.69)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182825	0.90	IL23R (0.65)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29598077	0.90	NPY2R (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30578730	0.90	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29368944	0.90	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658403	0.90	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R

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