SCHEMBL30495748

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.52

▸	NPY2R	P49146	7/20	0.47

▸	NPY4R	P50391	7/20	0.47

▸	NPY5R	Q15761	7/20	0.47

▸	NPY1R	P25929	5/20	0.47

▸	RAMP3	O60896	4/20	0.44

▸	CALCR	P30988	4/20	0.44

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
SCHEMBL30401738	0.91	KDM1A (0.49)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30400676	0.91	KDM1A (0.49)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30402071	0.91	NPY2R (0.49)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL10693642	0.90	RAMP3 (0.49)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30401753	0.90	NPY2R (0.49)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30401156	0.90	NPY2R (0.50)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30401025	0.90	NPY2R (0.50)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30311264	0.90	NPY2R (0.50)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30401150	0.90	NPY2R (0.50)	CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30311193	0.90	NPY2R (0.50)	CALCRLNPY2RNPY4RNPY5RNPY1R

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