SCHEMBL31554823

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

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN2D	O15399	1/20	0.57

▸	GRIN3B	O60391	1/20	0.57

▸	GRIN1	Q05586	1/20	0.57

▸	GRIN2A	Q12879	1/20	0.57

▸	GRIN2B	Q13224	1/20	0.57

▸	GRIN2C	Q14957	1/20	0.57

▸	GRIN3A	Q8TCU5	1/20	0.57

▸	ENPEP	Q07075	5/20	0.52

▸	TASP1	Q9H6P5	1/20	0.49

▸	BACE1	P56817	7/20	0.49

▸	VIPR2	P41587	2/20	0.45

▸	VIPR1	P32241	2/20	0.45

▸	CTSD	P07339	1/20	0.44

▸	BACE2	Q9Y5Z0	1/20	0.44

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
SCHEMBL31514347	0.98	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554818	0.97	GRIN2D (0.53)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554822	0.94	GRIN2D (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554828	0.92	GRIN2D (0.49)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7591172	0.92	GRIN2D (0.59)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31285037	0.92	GRIN2D (0.60)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30785131	0.92	GRIN2D (0.60)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30242230	0.91	BACE1 (0.57)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30974505	0.91	GRIN2D (0.53)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554819	0.91	VIPR2 (0.51)	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-2025094953-A1	ESTIMATION SYSTEM, METHOD FOR ESTIMATING MOLECULAR CONFORMATION, AND ESTIMATION PROGRAM	中外製薬株式会社	2025-05-08	—	—	WO	disclosed