SCHEMBL30512700

C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	5/20	0.54

▸	GLP1R	P43220	4/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	ECE1	P42892	1/20	0.53

▸	MUS81	Q96NY9	1/20	0.53

▸	PRMT1	Q99873	1/20	0.52

▸	RXFP1	Q9HBX9	1/20	0.52

▸	MAGI3	Q5TCQ9	1/20	0.52

▸	KISS1R	Q969F8	6/20	0.51

▸	ERBB2	P04626	1/20	0.51

▸	CXCR4	P61073	1/20	0.49

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
SCHEMBL29354796	0.90	ERBB2 (0.54)	IL23RGLP1RGCGRGIPRECE1
SCHEMBL31546312	0.90	KISS1R (0.56)	IL23RGLP1RECE1MUS81PRMT1
SCHEMBL30443812	0.88	ERAP2 (0.55)	IL23RPRMT1MAGI3KISS1R
SCHEMBL29608623	0.88	KISS1R (0.53)	ECE1PRMT1KISS1RCXCR4
SCHEMBL30701871	0.88	IL23R (0.58)	IL23RGLP1RGCGRGIPRECE1
SCHEMBL30701867	0.88	IL23R (0.58)	IL23RGLP1RGCGRGIPRECE1
SCHEMBL31064875	0.87	KISS1R (0.55)	IL23RMAGI3KISS1RERBB2
SCHEMBL30444033	0.87	ACE (0.54)	ECE1KISS1R
SCHEMBL30392883	0.87	RXFP1 (0.56)	IL23RGLP1RGCGRGIPRRXFP1
SCHEMBL30898807	0.87	GLP1R (0.55)	IL23RGLP1RGCGRGIPRECE1

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