SCHEMBL30657497

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](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 0.44

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.44

▸	REN	P00797	1/20	0.41

▸	ABCB1	P08183	2/20	0.41

▸	CAPN1	P07384	3/20	0.40

▸	CASP3	P42574	1/20	0.38

▸	CASP2	P42575	1/20	0.38

▸	MMP1	P03956	1/20	0.38

▸	MMP3	P08254	1/20	0.38

▸	RAMP1	O60894	1/20	0.38

▸	ELANE	P08246	1/20	0.38

▸	TGM2	P21980	1/20	0.37

▸	OPRM1	P35372	2/20	0.37

▸	OPRK1	P41145	2/20	0.37

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
SCHEMBL30657490	0.94	CALCRL (0.43)	CALCRLRENABCB1CAPN1
SCHEMBL29726608	0.94	CALCRL (0.44)	CALCRLRENCAPN1
SCHEMBL30657491	0.93	F2 (0.42)	CALCRLABCB1TGM2
SCHEMBL30657496	0.90	CALCRL (0.45)	CALCRLTGM2
SCHEMBL30657494	0.90	CALCRL (0.51)	CALCRLREN
SCHEMBL30657495	0.85	F2 (0.47)	CALCRLREN
SCHEMBL31140791	0.85	CALCRL (0.46)	CALCRLRENRAMP1
SCHEMBL29726644	0.85	CALCRL (0.46)	CALCRLRENRAMP1
SCHEMBL29946133	0.85	CALCRL (0.46)	CALCRLRENCAPN1RAMP1ELANE
SCHEMBL31232524	0.81	CAPN1 (0.46)	CALCRLRENABCB1CAPN1TGM2

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