SCHEMBL30495643

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

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	RAMP3	O60896	9/20	0.58

▸	CALCR	P30988	9/20	0.58

▸	TFPI	P10646	1/20	0.54

▸	CXCR4	P61073	1/20	0.53

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
SCHEMBL30495591	0.89	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182942	0.89	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30726569	0.88	RAMP3 (0.63)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182888	0.88	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30567784	0.88	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31683337	0.88	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30607453	0.87	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30429234	0.87	EP300 (0.62)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29445343	0.87	RAMP3 (0.57)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495607	0.87	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RRAMP3

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