SCHEMBL30512568

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

nearest known ligand 0.64

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.64

▸	BACE2	Q9Y5Z0	3/20	0.56

▸	OPRD1	P41143	1/20	0.54

▸	VIPR2	P41587	5/20	0.54

▸	VIPR1	P32241	2/20	0.54

▸	KISS1R	Q969F8	2/20	0.52

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
SCHEMBL30966645	0.87	BACE1 (0.55)	BACE1OPRD1VIPR2VIPR1
SCHEMBL30565310	0.87	BACE1 (0.51)	BACE1OPRD1KISS1R
SCHEMBL31038686	0.86	OPRD1 (0.58)	BACE1BACE2OPRD1
SCHEMBL31098023	0.86	OPRD1 (0.60)	BACE1BACE2OPRD1
SCHEMBL9437247	0.86	BACE1 (0.61)	BACE1BACE2OPRD1VIPR2VIPR1
SCHEMBL9437205	0.86	BACE1 (0.61)	BACE1BACE2OPRD1VIPR2VIPR1
SCHEMBL9437208	0.86	BACE1 (0.61)	BACE1BACE2OPRD1VIPR2VIPR1
SCHEMBL9437222	0.86	BACE1 (0.61)	BACE1BACE2OPRD1VIPR2VIPR1
SCHEMBL8894659	0.85	VIPR2 (0.56)	BACE1BACE2VIPR2VIPR1KISS1R
SCHEMBL8894598	0.85	BACE1 (0.53)	BACE1BACE2OPRD1VIPR2KISS1R

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed