SCHEMBL31514376

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	13/20	0.65

▸	BACE2	Q9Y5Z0	5/20	0.65

▸	VIPR2	P41587	3/20	0.54

▸	VIPR1	P32241	3/20	0.54

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
SCHEMBL38662087	0.89	BACE1 (0.56)	BACE1BACE2VIPR1
SCHEMBL30176488	0.89	BACE1 (0.62)	BACE1BACE2VIPR2VIPR1
SCHEMBL30522054	0.88	BACE1 (0.64)	BACE1BACE2VIPR2VIPR1
SCHEMBL29695612	0.88	BACE1 (0.67)	BACE1BACE2
SCHEMBL29903366	0.87	VIPR1 (0.64)	BACE1BACE2VIPR2VIPR1
SCHEMBL30176451	0.87	VIPR1 (0.66)	BACE1BACE2VIPR2VIPR1
SCHEMBL29742983	0.86	BACE1 (0.68)	BACE1BACE2
SCHEMBL31510101	0.86	BACE1 (0.67)	BACE1BACE2
SCHEMBL31748294	0.86	BACE1 (0.67)	BACE1BACE2
SCHEMBL31038686	0.85	OPRD1 (0.58)	BACE1BACE2

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
CN-119776332-A	Enzymatic preparation process of histamine dihydrochloride	上海瀚鸿科技股份有限公司	2025-04-08	—	—	CN	disclosed