SCHEMBL30731385

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.64

▸	NMUR1	Q9HB89	5/20	0.64

▸	KEAP1	Q14145	1/20	0.63

▸	TFPI	P10646	4/20	0.62

▸	KDM1A	O60341	2/20	0.61

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	CALCR	P30988	1/20	0.60

▸	NPY2R	P49146	4/20	0.60

▸	NPY4R	P50391	4/20	0.60

▸	NPY5R	Q15761	4/20	0.60

▸	NPY1R	P25929	3/20	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
SCHEMBL30495648	0.95	RAMP3 (0.67)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL30495778	0.92	NPY2R (0.69)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL30436240	0.91	RAMP3 (0.64)	NMUR2NMUR1TFPIRAMP3CALCR
SCHEMBL30437301	0.90	NMUR2 (0.66)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL31182662	0.90	NPY2R (0.68)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL34463649	0.90	NMUR2 (0.68)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL30423064	0.90	KEAP1 (0.69)	NMUR2NMUR1KEAP1TFPIRAMP3
SCHEMBL30576992	0.89	KDM1A (0.64)	KEAP1TFPIKDM1AMAOBKDM5A
SCHEMBL31474428	0.89	RAMP3 (0.67)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL29949432	0.89	EPHA2 (0.63)	NMUR2NMUR1TFPIKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-111479828-B	Anti-saccharide-MUC 1 antibodies and uses thereof	GO医疗股份有限公司	2024-07-05	—	—	CN	disclosed
US-20240011952-A1	MULTIDIMENSIONAL LC SYSTEM FOR ANALYSING ANTIBODIES	HOFFMANN-LA ROCHE INC.	2024-01-11	—	—	US	disclosed