SCHEMBL30512508

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

nearest known ligand 0.53

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	1/20	0.53

▸	FNTA	P49354	4/20	0.53

▸	FNTB	P49356	4/20	0.53

▸	BACE1	P56817	8/20	0.52

▸	CCKBR	P32239	5/20	0.51

▸	CTSD	P07339	1/20	0.51

▸	BACE2	Q9Y5Z0	1/20	0.51

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
SCHEMBL30512641	0.90	FNTA (0.54)	OPRD1FNTAFNTBCCKBR
SCHEMBL30495710	0.88	IL23R (0.56)	OPRD1BACE1
SCHEMBL30512497	0.85	BACE1 (0.53)	OPRD1BACE1CTSDBACE2
SCHEMBL30430659	0.85	BACE1 (0.60)	OPRD1BACE1CTSDBACE2
SCHEMBL29415208	0.84	OPRD1 (0.57)	OPRD1CCKBR
SCHEMBL29871876	0.83	OPRD1 (0.49)	OPRD1FNTAFNTB
SCHEMBL29723153	0.82	BACE1 (0.54)	OPRD1BACE1CTSDBACE2
SCHEMBL29994088	0.82	OPRD1 (0.51)	OPRD1CCKBR
SCHEMBL29723090	0.82	BACE1 (0.51)	OPRD1BACE1CCKBRBACE2
SCHEMBL31123352	0.82	TFPI (0.59)	OPRD1BACE1CTSDBACE2

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