SCHEMBL30607449

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

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.64

▸	RAMP3	O60896	3/20	0.64

▸	F2	P00734	4/20	0.62

▸	C5AR1	P21730	1/20	0.61

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	3/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.57

▸	NMUR1	Q9HB89	1/20	0.57

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
SCHEMBL30058340	0.92	F2 (0.63)	CALCRRAMP3F2C5AR1NPY2R
SCHEMBL30974236	0.92	C5AR1 (0.61)	CALCRRAMP3F2C5AR1NPY2R
SCHEMBL30974086	0.91	C5AR1 (0.65)	CALCRF2C5AR1NPY2RNPY4R
SCHEMBL29860218	0.90	MC4R (0.64)	CALCRRAMP3F2NPY2RNPY4R
SCHEMBL30973953	0.90	C5AR1 (0.63)	CALCRRAMP3C5AR1NPY2RNPY4R
SCHEMBL29588650	0.89	MC4R (0.64)	CALCRRAMP3F2NPY2RNPY4R
SCHEMBL31005064	0.89	C5AR1 (0.63)	CALCRF2C5AR1NPY2RNPY4R
SCHEMBL29416003	0.89	CALCR (0.63)	CALCRRAMP3C5AR1NPY2RNPY4R
SCHEMBL30607329	0.89	F2 (0.68)	CALCRRAMP3F2C5AR1NPY1R
SCHEMBL31182456	0.88	CALCR (0.66)	CALCRRAMP3F2NPY2RNPY4R

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