SCHEMBL30495646

CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	TFPI	P10646	4/20	0.62

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	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
SCHEMBL30358171	0.92	CALCR (0.66)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30804648	0.92	NPY2R (0.63)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30432528	0.92	CALCR (0.68)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30567763	0.91	CALCR (0.73)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29867533	0.91	CALCR (0.65)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30658245	0.91	CALCR (0.71)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30607412	0.91	CALCR (0.62)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL31005079	0.90	TFPI (0.67)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL11662077	0.90	CALCR (0.67)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30974483	0.90	TFPI (0.64)	CALCRTFPINPY2RNPY4RNPY5R

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