SCHEMBL30495765

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.64

▸	NPY4R	P50391	7/20	0.64

▸	NPY5R	Q15761	7/20	0.64

▸	NPY1R	P25929	5/20	0.64

▸	TFPI	P10646	6/20	0.63

▸	KDM1A	O60341	2/20	0.63

▸	CALCR	P30988	3/20	0.61

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
SCHEMBL29526390	0.90	APLNR (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30932058	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30932056	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30932084	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30932059	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29800193	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31167611	0.89	CALCR (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432128	0.89	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30073937	0.89	F2 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29783627	0.89	CALCR (0.72)	NPY2RNPY4RNPY5RNPY1RTFPI

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