SCHEMBL30495819

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

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	CALCR	P30988	4/20	0.57

▸	F2	P00734	4/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

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
SCHEMBL31670660	0.93	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29949425	0.93	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30325295	0.92	F2 (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182767	0.92	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607396	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30262103	0.91	F2 (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432875	0.91	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30883208	0.91	CALCR (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29903311	0.91	CALCR (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29771673	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR

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