SCHEMBL29679875

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN2D	O15399	1/20	0.51

▸	GRIN3B	O60391	1/20	0.51

▸	GRIN1	Q05586	1/20	0.51

▸	GRIN2A	Q12879	1/20	0.51

▸	GRIN2B	Q13224	1/20	0.51

▸	GRIN2C	Q14957	1/20	0.51

▸	GRIN3A	Q8TCU5	1/20	0.51

▸	BACE1	P56817	4/20	0.48

▸	TASP1	Q9H6P5	1/20	0.43

▸	CTSD	P07339	1/20	0.42

▸	ENPEP	Q07075	5/20	0.41

▸	MAGI3	Q5TCQ9	1/20	0.41

▸	NMT2	O60551	1/20	0.40

▸	NMT1	P30419	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
SCHEMBL29732605	0.94	BACE1 (0.52)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11086616	0.91	BACE1 (0.46)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29939650	0.89	BACE1 (0.47)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL38659567	0.89	GRIN2D (0.57)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL38660722	0.89	GRIN2D (0.57)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29514212	0.88	BACE1 (0.49)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11087900	0.88	FOLH1 (0.52)	BACE1CTSD
SCHEMBL21049250	0.87	GRIN2D (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21049251	0.87	GRIN2D (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5146835	0.87	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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	disclosed