SCHEMBL31554824

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

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN2D	O15399	1/20	0.48

▸	GRIN3B	O60391	1/20	0.48

▸	GRIN1	Q05586	1/20	0.48

▸	GRIN2A	Q12879	1/20	0.48

▸	GRIN2B	Q13224	1/20	0.48

▸	GRIN2C	Q14957	1/20	0.48

▸	GRIN3A	Q8TCU5	1/20	0.48

▸	ENPEP	Q07075	16/20	0.47

▸	BACE1	P56817	1/20	0.45

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
SCHEMBL31554826	0.94	GRIN2D (0.52)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554828	0.93	GRIN2D (0.49)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554821	0.91	GRIN2D (0.49)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31318928	0.86	GRIN2D (0.55)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554818	0.86	GRIN2D (0.53)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29671013	0.86	GRIN2D (0.55)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30658567	0.85	GRIN2D (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30512545	0.85	PTH1R (0.49)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29466783	0.84	FOLH1 (0.44)	BACE1
SCHEMBL30538333	0.84	BACE1 (0.42)	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