SCHEMBL30712962

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

nearest known ligand 0.68

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	4/20	0.68

▸	NPY1R	P25929	3/20	0.68

▸	NPY4R	P50391	3/20	0.68

▸	NPY5R	Q15761	3/20	0.68

▸	CXCR4	P61073	4/20	0.63

▸	KDM1A	O60341	3/20	0.63

▸	TFPI	P10646	3/20	0.62

▸	IL23R	Q5VWK5	1/20	0.61

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	GLP1R	P43220	3/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	NMBR	P28336	1/20	0.60

▸	GRPR	P30550	1/20	0.60

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
SCHEMBL31000884	0.91	NPY2R (0.75)	NPY2RNPY1RNPY4RNPY5RGLP1R
SCHEMBL31000908	0.90	NPY2R (0.72)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL29461541	0.90	NPY1R (0.70)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL29903382	0.89	CXCR4 (0.60)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL31182610	0.89	NPY2R (0.75)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL29410247	0.88	NPY1R (0.72)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL29351718	0.87	NPY1R (0.71)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL30658277	0.87	NPY2R (0.75)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL30646304	0.87	KDM1A (0.65)	NPY2RNPY1RNPY4RNPY5RCXCR4
SCHEMBL29416125	0.87	KDM1A (0.65)	NPY2RNPY1RNPY4RNPY5RCXCR4

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed