SCHEMBL30495794

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.65

▸	HCRTR1	O43613	1/20	0.64

▸	HCRTR2	O43614	1/20	0.64

▸	CXCR4	P61073	1/20	0.63

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

▸	F2	P00734	3/20	0.61

▸	RAMP3	O60896	3/20	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
SCHEMBL29903311	0.91	CALCR (0.60)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL30883208	0.91	CALCR (0.68)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL29498111	0.91	CALCR (0.64)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL30432467	0.91	CALCR (0.61)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL30495627	0.91	NPY2R (0.64)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL32682322	0.90	NPY2R (0.62)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL30433583	0.89	CALCR (0.64)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL30906561	0.89	NPY2R (0.65)	CALCRHCRTR1HCRTR2CXCR4NPY2R
SCHEMBL30431303	0.89	RAMP3 (0.61)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL31182565	0.89	CXCR4 (0.63)	CALCRHCRTR1HCRTR2CXCR4NPY2R

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