SCHEMBL31542147

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	11/20	0.51

▸	NTSR1	P30989	11/20	0.51

▸	SORT1	Q99523	5/20	0.51

▸	CAPN1	P07384	4/20	0.48

▸	CTSB	P07858	1/20	0.48

▸	SLC6A2	P23975	1/20	0.47

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
SCHEMBL31542148	0.98	NTSR2 (0.52)	NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL29429185	0.90	NTSR2 (0.49)	NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30799389	0.88	NTSR2 (0.51)	NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30130348	0.87	NTSR2 (0.50)	NTSR2NTSR1SORT1CAPN1
SCHEMBL31515788	0.84	NTSR2 (0.52)	NTSR2NTSR1SORT1
SCHEMBL30917327	0.84	NTSR1 (0.54)	NTSR2NTSR1SORT1
SCHEMBL31018315	0.84	NMUR2 (0.49)	NTSR2NTSR1SORT1CAPN1
SCHEMBL31018310	0.84	CAPN1 (0.50)	NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL31018319	0.83	CAPN1 (0.49)	NTSR2NTSR1SORT1CAPN1
SCHEMBL30390361	0.83	NTSR1 (0.51)	NTSR2NTSR1SORT1CAPN1CTSB

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
CN-119745812-A	Pancreatic cancer diagnosis and treatment nano-probe with 'switch' function	中国药科大学	2025-04-04	—	—	CN	claimed