SCHEMBL31255209

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.59

▸	NPY2R	P49146	8/20	0.57

▸	NPY4R	P50391	8/20	0.57

▸	NPY5R	Q15761	8/20	0.57

▸	NPY1R	P25929	6/20	0.57

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	CXCR4	P61073	2/20	0.53

▸	MAPK8	P45983	1/20	0.52

▸	MAPK9	P45984	1/20	0.52

▸	MAPK10	P53779	1/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	RAMP3	O60896	1/20	0.50

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
SCHEMBL31182981	0.90	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31507665	0.90	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658199	0.89	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358150	0.88	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567784	0.87	NPY2R (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31138107	0.87	MAPK8 (0.55)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30472841	0.87	EP300 (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29370426	0.87	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938250	0.87	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938249	0.87	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R

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-118773141-A	Hybridoma cell strain for producing thymidine kinase 1 (TK 1) monoclonal antibody, antibody and colloidal gold test strip and application thereof	江南大学	2024-10-15	—	—	CN	disclosed