SCHEMBL31255134

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	TFPI	P10646	5/20	0.59

▸	CXCR4	P61073	3/20	0.56

▸	KEAP1	Q14145	1/20	0.55

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
SCHEMBL31461960	0.91	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182515	0.88	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432260	0.88	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30432394	0.88	MAPK8 (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30176414	0.88	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176437	0.88	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30887555	0.87	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31295731	0.87	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29531542	0.87	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31000920	0.87	CXCR4 (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8

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