SCHEMBL30495609

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	2/20	0.54

▸	CTSD	P07339	1/20	0.52

▸	CTSE	P14091	1/20	0.52

▸	BACE1	P56817	1/20	0.52

▸	CALCR	P30988	7/20	0.51

▸	NPY2R	P49146	7/20	0.51

▸	NPY4R	P50391	7/20	0.51

▸	NPY5R	Q15761	7/20	0.51

▸	NPY1R	P25929	5/20	0.51

▸	RAMP3	O60896	3/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	NMUR2	Q9GZQ4	1/20	0.50

▸	NMUR1	Q9HB89	1/20	0.50

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
SCHEMBL29822526	0.86	CALCRL (0.56)	CALCRLCTSDCTSEBACE1CALCR
SCHEMBL30607439	0.85	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30804645	0.85	CALCR (0.59)	CALCRLCALCRNPY2RNPY4RNPY5R
SCHEMBL29599109	0.85	CALCR (0.54)	CALCRLCALCRNPY2RNPY4RNPY5R
SCHEMBL30804661	0.85	NPY2R (0.61)	CALCRLCALCRNPY2RNPY4RNPY5R
SCHEMBL31182472	0.84	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30429125	0.84	NPY2R (0.59)	CALCRLCALCRNPY2RNPY4RNPY5R
SCHEMBL30906513	0.83	RAMP3 (0.55)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29654647	0.83	KEAP1 (0.55)	NMUR2NMUR1
SCHEMBL30906471	0.83	CALCR (0.66)	CALCRRAMP3NMUR2NMUR1

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