SCHEMBL30495593

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.69

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	KISS1R	Q969F8	1/20	0.61

▸	CXCL8	P10145	1/20	0.60

▸	C5AR1	P21730	1/20	0.60

▸	GLP1R	P43220	5/20	0.59

▸	GCGR	P47871	3/20	0.59

▸	IL23R	Q5VWK5	1/20	0.59

▸	KDM1A	O60341	1/20	0.58

▸	GIPR	P48546	2/20	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
SCHEMBL29645138	0.89	CXCR4 (0.58)	CXCR4KISS1RCXCL8
SCHEMBL31707333	0.89	CXCR4 (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29949399	0.88	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30527870	0.88	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416034	0.88	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31694497	0.88	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416046	0.88	CXCR4 (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30646309	0.88	CXCR4 (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182610	0.88	NPY2R (0.75)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29625326	0.88	NPY1R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R

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