SCHEMBL29679612

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

nearest known ligand 0.46

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	4/20	0.46

▸	CALCRL	Q16602	4/20	0.45

▸	REN	P00797	2/20	0.42

▸	CTSB	P07858	1/20	0.42

▸	XIAP	P98170	1/20	0.41

▸	RAMP1	O60894	1/20	0.41

▸	RAMP3	O60896	3/20	0.40

▸	CALCR	P30988	3/20	0.40

▸	SLC6A2	P23975	1/20	0.40

▸	NPY1R	P25929	1/20	0.40

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
SCHEMBL29680185	0.91	CALCRL (0.55)	CALCRLRENXIAPRAMP1SLC6A2
SCHEMBL30518982	0.84	CAPN1 (0.53)	CAPN1CALCRLRENCTSBXIAP
SCHEMBL30485542	0.84	SLC6A2 (0.48)	CAPN1CALCRLCTSBXIAPRAMP1
SCHEMBL29679608	0.84	CAPN1 (0.49)	CAPN1CALCRLRENCTSBXIAP
SCHEMBL31235878	0.83	NTSR1 (0.48)	XIAPNPY1R
SCHEMBL30136886	0.82	NTSR2 (0.46)	CALCRL
SCHEMBL29679944	0.82	CALCRL (0.56)	CALCRLRENRAMP1SLC6A2
SCHEMBL30422893	0.82	CAPN1 (0.53)	CAPN1RENCTSBXIAPSLC6A2
SCHEMBL30444071	0.82	BACE1 (0.45)	CALCRLRENRAMP1
SCHEMBL29630673	0.82	CAPN1 (0.47)	CAPN1CALCRLRENCTSBXIAP

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-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	claimed