SCHEMBL30495678

CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.66

▸	CXCR4	P61073	6/20	0.62

▸	MC4R	P32245	1/20	0.61

▸	APLNR	P35414	3/20	0.60

▸	NPY2R	P49146	3/20	0.58

▸	NPY4R	P50391	3/20	0.58

▸	NPY5R	Q15761	3/20	0.58

▸	NPY1R	P25929	2/20	0.58

▸	TFPI	P10646	2/20	0.58

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
SCHEMBL31182477	0.91	APLNR (0.64)	C5AR1APLNRNPY2RNPY4RNPY5R
SCHEMBL30903277	0.91	C5AR1 (0.65)	C5AR1CXCR4MC4RAPLNRTFPI
SCHEMBL30495793	0.90	CALCR (0.67)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL14677421	0.89	CXCR4 (0.56)	C5AR1CXCR4MC4RAPLNR
SCHEMBL14677425	0.89	CXCR4 (0.56)	C5AR1CXCR4MC4RAPLNR
SCHEMBL30432646	0.89	CALCR (0.67)	C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30512692	0.89	C5AR1 (0.58)	C5AR1CXCR4APLNRNPY2RNPY4R
SCHEMBL31688333	0.89	APLNR (0.65)	C5AR1MC4RAPLNRTFPI
SCHEMBL30883205	0.88	F2 (0.61)	MC4RAPLNRNPY2RNPY4RNPY5R
SCHEMBL31182976	0.88	CALCR (0.70)	CXCR4APLNRNPY2RNPY4RNPY5R

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