SCHEMBL30878079

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

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	9/20	0.65

▸	CXCR4	P61073	3/20	0.61

▸	IL23R	Q5VWK5	1/20	0.60

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	CXCL8	P10145	3/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	CALCR	P30988	1/20	0.57

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
SCHEMBL29815129	0.97	KISS1R (0.67)	KISS1RCXCR4IL23RNPY1RNPY2R
SCHEMBL30786585	0.94	KISS1R (0.68)	KISS1RCXCR4IL23RNPY1RNPY2R
SCHEMBL30878078	0.92	NPY2R (0.68)	KISS1RCXCR4IL23RNPY1RNPY2R
SCHEMBL30786581	0.91	CXCR4 (0.65)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30786584	0.91	CXCR4 (0.64)	KISS1RCXCR4IL23RNPY1RNPY2R
SCHEMBL30786596	0.91	CXCR4 (0.64)	KISS1RCXCR4IL23RNPY1RNPY2R
SCHEMBL29552852	0.90	KISS1R (0.68)	KISS1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL38654334	0.89	NPY2R (0.70)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182897	0.88	CXCR4 (0.71)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30804667	0.87	CXCR4 (0.68)	KISS1RCXCR4IL23RNPY1RNPY2R

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-20240182529-A1	PH LOW INSERTION PEPTIDE AND COMPOSITION THEREOF	BEIJING ZEQIN BIOMEDICAL CO., LTD (CN)	2024-06-06	—	—	US	disclosed