SCHEMBL30607285

CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.58

▸	TFPI	P10646	4/20	0.54

▸	NPY2R	P49146	7/20	0.53

▸	NPY4R	P50391	7/20	0.53

▸	NPY5R	Q15761	7/20	0.53

▸	NPY1R	P25929	5/20	0.53

▸	KDM1A	O60341	1/20	0.51

▸	MAOB	P27338	1/20	0.51

▸	KDM5A	P29375	1/20	0.51

▸	KDM1B	Q8NB78	1/20	0.51

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
SCHEMBL31683295	0.89	NPY2R (0.58)	CXCR4TFPINPY2RNPY4RNPY5R
SCHEMBL31182508	0.87	CXCR4 (0.59)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31419692	0.87	CXCR4 (0.55)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31255673	0.87	CXCR4 (0.55)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30512588	0.86	RAMP3 (0.53)	CXCR4TFPI
SCHEMBL30658199	0.86	NPY2R (0.63)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30526237	0.85	NPY2R (0.60)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31222190	0.85	RAMP3 (0.55)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30262022	0.85	KDM1A (0.53)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29515091	0.85	KDM1A (0.55)	CXCR4TFPINPY2RNPY4RNPY5R

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