SCHEMBL31694492

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.70

▸	PTH1R	Q03431	10/20	0.66

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CXCR4	P61073	1/20	0.64

▸	GLP1R	P43220	4/20	0.63

▸	CXCL8	P10145	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
SCHEMBL31182766	0.93	PTH1R (0.73)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL31182694	0.93	CXCR4 (0.71)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL31183001	0.93	NPY1R (0.67)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL30432427	0.92	KEAP1 (0.64)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL31182954	0.91	KEAP1 (0.67)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL31182586	0.91	GLP1R (0.70)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30006939	0.91	KEAP1 (0.70)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL30404538	0.91	KEAP1 (0.65)	KEAP1PTH1RNPY1RNPY2RNPY4R
SCHEMBL30218939	0.90	CXCR4 (0.65)	CXCR4CXCL8
SCHEMBL30932069	0.90	GLP1R (0.74)	KEAP1NPY1RNPY2RNPY4RNPY5R

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-RE50618-E1	Anionic-core composition for delivery of therapeutic agents, and methods of making and using the same	PHARMAIN CORPORATION (US)	2025-10-07	—	—	US	disclosed