SCHEMBL31078236

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.53

▸	CD40	P25942	1/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	NPY4R	P50391	10/20	0.50

▸	NPY1R	P25929	7/20	0.50

▸	NPY2R	P49146	6/20	0.50

▸	NPY5R	Q15761	6/20	0.50

▸	IL23R	Q5VWK5	3/20	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
SCHEMBL31232421	0.97	TFPI (0.56)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL31232432	0.93	NPY4R (0.52)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL30939704	0.93	NPY4R (0.52)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL5965085	0.93	NPY4R (0.52)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL5965061	0.93	NPY4R (0.52)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL30939697	0.93	NPY4R (0.52)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL30787057	0.92	NPY4R (0.57)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL30787044	0.92	NPY4R (0.57)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL30787061	0.92	NPY4R (0.57)	TFPICD40KEAP1NPY4RNPY1R
SCHEMBL30787056	0.92	NPY4R (0.57)	TFPICD40KEAP1NPY4RNPY1R

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-118698507-A	Preparation method of phospholipid affinity monolithic column and application of monolithic column	无锡萃纯生物材料科技有限公司	2024-09-27	—	—	CN	disclosed
CN-118638745-A	Method for purifying lentivirus	无锡萃纯生物材料科技有限公司	2024-09-13	—	—	CN	disclosed