SCHEMBL30495708

CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.71

▸	NPY1R	P25929	2/20	0.71

▸	NPY2R	P49146	2/20	0.71

▸	NPY4R	P50391	2/20	0.71

▸	NPY5R	Q15761	2/20	0.71

▸	GLP1R	P43220	4/20	0.65

▸	GCGR	P47871	3/20	0.65

▸	TFPI	P10646	4/20	0.65

▸	CXCL8	P10145	1/20	0.64

▸	PTH1R	Q03431	1/20	0.63

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
SCHEMBL31182648	0.92	NPY2R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182504	0.92	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30578730	0.92	NPY1R (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30640750	0.91	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31067646	0.91	NPY1R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30415751	0.91	NPY1R (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30415354	0.91	CXCR4 (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182647	0.91	NPY1R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182642	0.90	NPY1R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29389654	0.90	MC4R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed