SCHEMBL30495665

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.84

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.65

▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	GLP1R	P43220	4/20	0.62

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	TFPI	P10646	1/20	0.60

▸	KEAP1	Q14145	1/20	0.60

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
SCHEMBL30495633	0.95	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30028547	0.94	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182717	0.93	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658338	0.92	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658405	0.92	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30804648	0.92	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182691	0.92	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938250	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29370426	0.91	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30435977	0.91	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R

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