SCHEMBL30512677

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

nearest known ligand 0.62

Predicted protein targets (top 10)

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

▸	TLR2	O60603	4/20	0.57

▸	GRPR	P30550	5/20	0.54

▸	IL23R	Q5VWK5	1/20	0.54

▸	RXFP1	Q9HBX9	4/20	0.53

▸	GLP1R	P43220	1/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	EDNRA	P25101	1/20	0.52

▸	ERBB2	P04626	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
SCHEMBL31182736	0.90	MAGI3 (0.62)	MAGI3TLR2RXFP1GLP1RGCGR
SCHEMBL30721593	0.89	MAGI3 (0.58)	MAGI3TLR2GRPRIL23RRXFP1
SCHEMBL29377904	0.89	RXFP1 (0.57)	MAGI3TLR2GRPRIL23RRXFP1
SCHEMBL21305550	0.89	RXFP1 (0.57)	MAGI3TLR2GRPRIL23RRXFP1
SCHEMBL30148129	0.88	MAGI3 (0.58)	MAGI3TLR2GRPRRXFP1EDNRA
SCHEMBL30262080	0.88	TLR2 (0.59)	MAGI3TLR2RXFP1GLP1RGCGR
SCHEMBL31182529	0.88	MAGI3 (0.59)	MAGI3TLR2GRPRIL23RRXFP1
SCHEMBL29390396	0.87	MAGI3 (0.55)	MAGI3TLR2GRPRIL23RERBB2
SCHEMBL29607306	0.87	TLR2 (0.59)	MAGI3TLR2IL23RGLP1RGCGR
SCHEMBL19712222	0.87	PTH1R (0.57)	MAGI3TLR2GRPRIL23RRXFP1

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