SCHEMBL31073531

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.66

▸	MAPK9	P45984	1/20	0.66

▸	MAPK10	P53779	1/20	0.66

▸	NPY1R	P25929	2/20	0.65

▸	NPY2R	P49146	2/20	0.65

▸	NPY4R	P50391	2/20	0.65

▸	NPY5R	Q15761	2/20	0.65

▸	CXCR4	P61073	4/20	0.61

▸	GLP1R	P43220	8/20	0.59

▸	KDM1A	O60341	2/20	0.59

▸	CCKBR	P32239	2/20	0.57

▸	IL23R	Q5VWK5	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
SCHEMBL30646304	0.95	KDM1A (0.65)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29416125	0.95	KDM1A (0.65)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31000908	0.93	NPY2R (0.72)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30800086	0.90	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30800083	0.90	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30607347	0.89	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30646301	0.89	CXCR4 (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29416050	0.89	CXCR4 (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30262113	0.89	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29827497	0.89	NPY2R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4

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-118777592-A	Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application	江南大学	2024-10-15	—	—	CN	disclosed