SCHEMBL30607461

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.60

▸	IL23R	Q5VWK5	3/20	0.58

▸	CTSL	P07711	2/20	0.53

▸	CTSS	P25774	2/20	0.53

▸	CTSK	P43235	2/20	0.53

▸	C5AR1	P21730	1/20	0.52

▸	MC4R	P32245	2/20	0.52

▸	MC5R	P33032	2/20	0.52

▸	MC3R	P41968	2/20	0.52

▸	MC1R	Q01726	2/20	0.52

▸	CTSH	P09668	1/20	0.51

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	NPY5R	Q15761	1/20	0.51

▸	CCKBR	P32239	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
SCHEMBL31300431	0.84	CCKBR (0.58)	CXCR4IL23RCTSLCTSSCTSK
SCHEMBL30512708	0.84	CXCR4 (0.60)	CXCR4IL23RC5AR1MC4RMC5R
SCHEMBL29645138	0.83	CXCR4 (0.58)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30391227	0.83	CXCR4 (0.69)	CXCR4IL23RC5AR1MC4RMC5R
SCHEMBL29845337	0.83	CXCR4 (0.58)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31694510	0.83	C5AR1 (0.68)	CXCR4CTSLCTSSCTSKC5AR1
SCHEMBL30381557	0.83	KISS1R (0.59)	CXCR4IL23RC5AR1NPY1RNPY2R
SCHEMBL30974438	0.82	CXCR4 (0.58)	CXCR4CTSLCTSSCTSKC5AR1
SCHEMBL31052975	0.82	NMUR2 (0.58)	—
SCHEMBL29871019	0.82	NMUR2 (0.58)	—

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