SCHEMBL31415948

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.56

▸	BACE2	Q9Y5Z0	2/20	0.56

▸	CTSD	P07339	1/20	0.55

▸	KEAP1	Q14145	2/20	0.54

▸	VIPR2	P41587	3/20	0.54

▸	VIPR1	P32241	1/20	0.54

▸	NPY4R	P50391	3/20	0.54

▸	NPY1R	P25929	2/20	0.54

▸	NPY2R	P49146	2/20	0.54

▸	NPY5R	Q15761	2/20	0.54

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
SCHEMBL31415952	0.95	NPY4R (0.58)	BACE1BACE2CTSDKEAP1NPY4R
SCHEMBL30973995	0.92	VIPR2 (0.54)	KEAP1VIPR2VIPR1NPY4RNPY1R
SCHEMBL30087253	0.90	NPY4R (0.67)	KEAP1VIPR2VIPR1NPY4RNPY1R
SCHEMBL30903461	0.90	NPY4R (0.55)	BACE1BACE2CTSDKEAP1NPY4R
SCHEMBL29453332	0.90	VIPR2 (0.62)	BACE1BACE2CTSDVIPR2VIPR1
SCHEMBL31307250	0.90	VIPR2 (0.57)	BACE1BACE2CTSDVIPR2VIPR1
SCHEMBL38659301	0.88	BACE1 (0.63)	BACE1BACE2CTSD
SCHEMBL30008293	0.88	NPY4R (0.60)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30701868	0.88	OPRL1 (0.54)	KEAP1VIPR2VIPR1
SCHEMBL30701872	0.88	OPRL1 (0.54)	KEAP1VIPR2VIPR1

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