SCHEMBL30495655

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.64

▸	NMUR1	Q9HB89	4/20	0.64

▸	CXCR4	P61073	2/20	0.61

▸	CALCR	P30988	4/20	0.61

▸	RAMP3	O60896	1/20	0.59

▸	TFPI	P10646	3/20	0.59

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	4/20	0.58

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
SCHEMBL30823265	0.89	CALCR (0.69)	CXCR4CALCRTFPINPY2RNPY4R
SCHEMBL29523674	0.89	CALCR (0.70)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL31182904	0.89	NMUR2 (0.65)	NMUR2NMUR1CXCR4CALCRRAMP3
SCHEMBL31196708	0.88	APLNR (0.58)	NMUR2NMUR1CXCR4CALCRRAMP3
SCHEMBL30432366	0.88	CALCR (0.59)	CXCR4CALCRRAMP3TFPI
Catestatin SCHEMBL29498741	0.88	NMUR2 (0.58)	NMUR2NMUR1CXCR4CALCRRAMP3
SCHEMBL29596813	0.87	CALCR (0.65)	CXCR4CALCRNPY2RNPY4RNPY5R
SCHEMBL30415450	0.87	CXCR4 (0.60)	NMUR2NMUR1CXCR4CALCRTFPI
SCHEMBL30335630	0.87	NMUR2 (0.64)	NMUR2NMUR1CXCR4CALCRRAMP3
SCHEMBL31182515	0.87	TFPI (0.68)	NMUR2NMUR1CXCR4CALCRTFPI

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