SCHEMBL30085017

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

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	2/20	0.60

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	OPRM1	P35372	6/20	0.59

▸	OPRK1	P41145	6/20	0.59

▸	KEAP1	Q14145	2/20	0.59

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	NPY1R	P25929	3/20	0.57

▸	TFPI	P10646	1/20	0.57

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
SCHEMBL30175378	0.92	RAMP3 (0.56)	CXCR4MAPK8MAPK9MAPK10KEAP1
SCHEMBL29364257	0.91	KEAP1 (0.59)	CXCR4KEAP1NPY2RNPY4RNPY5R
SCHEMBL30648456	0.90	OPRM1 (0.63)	OPRM1OPRK1KEAP1NPY2RNPY4R
SCHEMBL30176425	0.89	NPY2R (0.64)	OPRM1OPRK1KEAP1NPY2RNPY4R
SCHEMBL30432260	0.89	NPY2R (0.61)	CXCR4MAPK8MAPK9MAPK10OPRM1
SCHEMBL31461960	0.88	MAPK8 (0.67)	CXCR4MAPK8MAPK9MAPK10KEAP1
SCHEMBL30495779	0.88	NPY2R (0.65)	CXCR4MAPK8MAPK9MAPK10NPY2R
SCHEMBL30432086	0.88	RAMP3 (0.63)	KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL29988048	0.88	NPY2R (0.64)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182744	0.88	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI

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-4090383-A2	IL2 ORTHOLOGS AND METHODS OF USE	Synthekine, Inc. (US)	2022-11-23	—	—	EP	disclosed