SCHEMBL30657494

CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	1/20	0.51

▸	CASP1	P29466	1/20	0.50

▸	NTSR1	P30989	11/20	0.49

▸	NTSR2	O95665	10/20	0.49

▸	SORT1	Q99523	9/20	0.49

▸	NMUR2	Q9GZQ4	2/20	0.48

▸	NMUR1	Q9HB89	2/20	0.48

▸	NPY1R	P25929	1/20	0.48

▸	REN	P00797	2/20	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
SCHEMBL31140767	0.91	CALCRL (0.56)	CALCRLNTSR1NTSR2SORT1NMUR2
SCHEMBL30657497	0.90	CALCRL (0.44)	CALCRLREN
SCHEMBL30657490	0.88	CALCRL (0.43)	CALCRLNPY1RREN
SCHEMBL29726608	0.87	CALCRL (0.44)	CALCRLNPY1RREN
SCHEMBL30657495	0.84	F2 (0.47)	CALCRLREN
SCHEMBL30657491	0.83	F2 (0.42)	CALCRLNTSR1NTSR2SORT1NPY1R
SCHEMBL12914540	0.82	SLC6A2 (0.54)	CALCRLCASP1NTSR1NTSR2SORT1
SCHEMBL646710	0.82	SLC6A2 (0.54)	CALCRLCASP1NTSR1NTSR2SORT1
SCHEMBL30657496	0.81	CALCRL (0.45)	CALCRLNPY1R
SCHEMBL31140791	0.79	CALCRL (0.46)	CALCRLNPY1RREN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4397770-A1	STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS	PreAnalytiX GmbH (CH)	2024-07-10	—	—	EP	disclosed
EP-3401406-B1	STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS	PREANALYTIX GMBH (CH)	2023-11-29	—	—	EP	disclosed