SCHEMBL30607353

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.68

▸	CALCR	P30988	6/20	0.67

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	NPY2R	P49146	5/20	0.56

▸	NPY4R	P50391	5/20	0.56

▸	NPY5R	Q15761	5/20	0.56

▸	NPY1R	P25929	3/20	0.56

▸	KEAP1	Q14145	1/20	0.55

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
SCHEMBL31182661	0.89	F2 (0.65)	F2CALCRNPY2RNPY4RNPY5R
SCHEMBL29949630	0.88	CALCR (0.74)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30422726	0.88	CALCR (0.71)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30436859	0.87	CALCR (0.61)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL31182521	0.87	F2 (0.73)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL29868686	0.87	NPY2R (0.68)	F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30607303	0.86	CALCR (0.69)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30658402	0.86	NPY2R (0.68)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL10437998	0.86	CALCR (0.62)	F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL10438004	0.86	CALCR (0.62)	F2CALCRHCRTR1HCRTR2CRHR1

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