SCHEMBL30404538

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

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.65

▸	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	5/20	0.63

▸	EED	O75530	1/20	0.59

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	KISS1R	Q969F8	3/20	0.58

▸	PTH1R	Q03431	6/20	0.58

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
Dynorphin A (1-17) SCHEMBL31331988	0.92	NPY1R (0.68)	KEAP1NPY1RNPY2RNPY4RNPY5R
Dynorphin A (1-17) SCHEMBL30248363	0.92	NPY1R (0.68)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31409438	0.92	CXCR4 (0.63)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31409436	0.91	CXCR4 (0.63)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31694492	0.91	KEAP1 (0.70)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30712878	0.90	CXCR4 (0.65)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30589447	0.90	CXCR4 (0.68)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30867019	0.89	CXCR4 (0.61)	CXCR4KISS1R
SCHEMBL29444962	0.89	KEAP1 (0.69)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182544	0.88	NPY1R (0.69)	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
EP-4175970-A1	PEPTIDES AND USES THEREOF	Preveceutical Medical Inc. (CA)	2023-05-10	—	—	EP	disclosed