SCHEMBL31415950

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	9/20	0.48

▸	NTSR2	O95665	6/20	0.48

▸	SORT1	Q99523	3/20	0.48

▸	XIAP	P98170	1/20	0.45

▸	OPRD1	P41143	2/20	0.44

▸	OPRM1	P35372	1/20	0.44

▸	OPRK1	P41145	1/20	0.44

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
SCHEMBL31451131	0.90	NTSR1 (0.48)	NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL30304780	0.88	NTSR1 (0.46)	NTSR1NTSR2SORT1
SCHEMBL30305028	0.87	NTSR1 (0.45)	NTSR1NTSR2SORT1
SCHEMBL30607428	0.86	CALCR (0.53)	—
SCHEMBL29569114	0.85	NTSR1 (0.49)	NTSR1NTSR2SORT1XIAP
SCHEMBL30957173	0.85	NTSR2 (0.47)	NTSR1NTSR2SORT1XIAPOPRM1
SCHEMBL30957171	0.85	NTSR2 (0.47)	NTSR1NTSR2SORT1XIAPOPRM1
SCHEMBL31326909	0.84	CXCR4 (0.45)	OPRM1OPRK1
SCHEMBL31676648	0.83	F2 (0.48)	NTSR1NTSR2OPRM1
SCHEMBL30239685	0.83	XIAP (0.47)	NTSR1NTSR2SORT1XIAP

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
WO-2025002590-A1	TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS	UNIWERSYTET GDÁNSKI (PL)	2025-01-02	—	—	WO	claimed