SCHEMBL27400993

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)NCC(N)=O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 10)

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

▸	CXCL8	P10145	9/20	0.58

▸	IL23R	Q5VWK5	2/20	0.56

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

▸	KISS1R	Q969F8	1/20	0.54

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
SCHEMBL27401175	0.90	IL23R (0.66)	CXCR4IL23RCCKBRGLP1R
SCHEMBL29369720	0.85	IL23R (0.57)	CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL31073607	0.85	CXCR4 (0.63)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30382803	0.84	CXCR4 (0.61)	CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL31307240	0.84	CXCR4 (0.68)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL30495596	0.84	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29855927	0.83	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452901	0.83	CXCR4 (0.67)	CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL29815037	0.83	CXCR4 (0.64)	CXCR4CXCL8NPY1RNPY2RNPY4R
SCHEMBL31452902	0.82	CXCR4 (0.59)	CXCR4CXCL8NPY1RNPY2RNPY4R

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
WO-2024129479-A2	CYCLIC PEPTIDES AS PET IMAGING AGENTS OF GRANZYME B	MERCK SHARP & DOHME LLC (US)	2024-06-20	—	—	WO	disclosed