SCHEMBL30199355

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.61

▸	KISS1R	Q969F8	3/20	0.55

▸	CALCA	P06881	2/20	0.54

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	GLP1R	P43220	6/20	0.54

▸	CCKBR	P32239	2/20	0.54

▸	CXCL8	P10145	1/20	0.53

▸	CALCRL	Q16602	1/20	0.53

▸	GIPR	P48546	4/20	0.53

▸	NMBR	P28336	1/20	0.53

▸	GRPR	P30550	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
SCHEMBL30256961	0.95	CXCR4 (0.59)	CXCR4KISS1RCALCANPY1RNPY2R
SCHEMBL30712903	0.89	CXCR4 (0.65)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31665896	0.87	CALCRL (0.56)	CXCR4CCKBRCALCRL
SCHEMBL30973980	0.86	DPP3 (0.58)	CXCR4KISS1RCCKBRCALCRL
SCHEMBL29949589	0.86	GLP1R (0.57)	CXCR4KISS1RCALCANPY1RNPY2R
SCHEMBL30257218	0.86	CXCR4 (0.61)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30257775	0.85	CXCR4 (0.56)	CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL29885590	0.85	IL23R (0.58)	CXCR4KISS1RCALCANPY1RNPY2R
SCHEMBL29949651	0.85	NPY1R (0.67)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30974317	0.85	DPP3 (0.58)	CXCR4KISS1RCCKBRCALCRL

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
EP-4121547-A1	METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES	Lassogen, Inc. (US)	2023-01-25	—	—	EP	disclosed