SCHEMBL30512708

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

nearest known ligand 0.60

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.60

▸	KISS1R	Q969F8	5/20	0.58

▸	IL23R	Q5VWK5	1/20	0.57

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	C5AR1	P21730	1/20	0.56

▸	EED	O75530	1/20	0.55

▸	MC4R	P32245	2/20	0.53

▸	MC5R	P33032	2/20	0.53

▸	MC3R	P41968	2/20	0.53

▸	MC1R	Q01726	2/20	0.53

▸	CXCL8	P10145	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
SCHEMBL29845337	0.89	CXCR4 (0.58)	CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL31232547	0.88	C5AR1 (0.62)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31410855	0.87	KISS1R (0.65)	KISS1RIL23RNPY1RNPY2RNPY4R
SCHEMBL30432221	0.87	IL23R (0.62)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30799900	0.87	IL23R (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30381557	0.87	KISS1R (0.59)	CXCR4KISS1RIL23RNPY1RNPY2R
SCHEMBL29845535	0.87	CXCR4 (0.60)	CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL29558373	0.86	CAPN1 (0.61)	KISS1RCXCL8
SCHEMBL30575223	0.86	C5AR1 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30673321	0.86	CXCR4 (0.60)	CXCR4KISS1RIL23RNPY1RNPY2R

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
CN-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed