SCHEMBL29641790

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

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.49

▸	CALCRL	Q16602	4/20	0.48

▸	CTSD	P07339	2/20	0.44

▸	BACE1	P56817	2/20	0.44

▸	AGTR2	P50052	5/20	0.44

▸	AGTR1	P30556	4/20	0.44

▸	SLC6A2	P23975	1/20	0.43

▸	CMA1	P23946	2/20	0.43

▸	CAPN1	P07384	2/20	0.43

▸	PRMT5	O14744	1/20	0.42

▸	WDR77	Q9BQA1	1/20	0.42

▸	OPRM1	P35372	1/20	0.41

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
SCHEMBL29641650	1.00	GRB2 (0.49)	GRB2CALCRLCTSDBACE1AGTR2
SCHEMBL30150546	0.94	GRB2 (0.52)	GRB2CALCRLAGTR2AGTR1SLC6A2
SCHEMBL29641795	0.88	CALCRL (0.60)	CALCRLAGTR2AGTR1SLC6A2CMA1
SCHEMBL29641778	0.87	XIAP (0.47)	GRB2CALCRLSLC6A2CMA1
SCHEMBL30123263	0.86	SLC6A2 (0.52)	CALCRLSLC6A2CMA1CAPN1OPRM1
SCHEMBL29641646	0.85	GRB2 (0.48)	GRB2CALCRLCTSDBACE1AGTR2
SCHEMBL29865847	0.85	GRB2 (0.48)	GRB2CTSDBACE1CAPN1
SCHEMBL29662278	0.85	OPRM1 (0.46)	GRB2CALCRLSLC6A2OPRM1
SCHEMBL30753842	0.84	SLC6A2 (0.53)	CALCRLSLC6A2CMA1CAPN1OPRM1
SCHEMBL29838219	0.84	GRB2 (0.46)	GRB2SLC6A2OPRM1

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
US-20220089719-A1	CONSTRUCTS TARGETING LABYRINTHIN OR A PORTION THEREOF AND USES THEREOF	LABYRX IMMUNOLOGIC THERAPEUTICS (USA) LIMITED (US)	2022-03-24	—	—	US	disclosed