SCHEMBL30786592

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	MAGI3	Q5TCQ9	1/20	0.62

▸	OPRM1	P35372	2/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	ACE	P12821	2/20	0.54

▸	GHSR	Q92847	2/20	0.54

▸	KISS1R	Q969F8	2/20	0.54

▸	ECE1	P42892	1/20	0.53

▸	ERAP2	Q6P179	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
SCHEMBL30051562	0.95	OPRM1 (0.60)	MAGI3OPRM1OPRD1ACEGHSR
SCHEMBL30786602	0.92	MAGI3 (0.56)	MAGI3ACEECE1
SCHEMBL30051669	0.92	OPRM1 (0.59)	OPRM1OPRD1ACEGHSRECE1
SCHEMBL29559633	0.91	ACE (0.62)	MAGI3ACEECE1ERAP2
SCHEMBL30544315	0.91	KISS1R (0.60)	ACEKISS1RECE1ERAP2
SCHEMBL11225534	0.90	ACE (0.64)	OPRM1OPRD1ACEECE1
SCHEMBL11225545	0.90	ACE (0.64)	OPRM1OPRD1ACEECE1
Hydrochloric Acid SCHEMBL11220975	0.89	ACE (0.63)	OPRM1OPRD1ACEECE1
Hydrochloric Acid SCHEMBL11235229	0.89	ACE (0.63)	OPRM1OPRD1ACEECE1
Hydrochloric Acid SCHEMBL11220969	0.89	ACE (0.63)	OPRM1OPRD1ACEECE1

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-117815402-A	Coupling medicine of targeting STAT3 protein and application thereof	国家纳米科学中心	2024-04-05	—	—	CN	claimed