SCHEMBL30512497

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

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.53

▸	BACE2	Q9Y5Z0	2/20	0.53

▸	OPRD1	P41143	4/20	0.51

▸	OPRM1	P35372	3/20	0.51

▸	CTSD	P07339	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	IL23R	Q5VWK5	2/20	0.50

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
SCHEMBL30903271	0.86	IL23R (0.53)	BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL31683305	0.86	BACE1 (0.59)	BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL29811053	0.86	IL23R (0.59)	BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL30512508	0.85	OPRD1 (0.53)	BACE1BACE2OPRD1CTSD
SCHEMBL30420308	0.85	OPRD1 (0.52)	BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL31174213	0.85	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL29836442	0.85	TFPI (0.55)	BACE1BACE2OPRD1OPRM1OPRK1
SCHEMBL29415987	0.84	BACE1 (0.56)	BACE1BACE2OPRD1OPRM1CTSD
SCHEMBL29416121	0.84	BACE1 (0.56)	BACE1BACE2OPRD1OPRM1CTSD
SCHEMBL32677426	0.84	BACE1 (0.62)	BACE1BACE2CTSD

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