SCHEMBL30299216

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	4/20	0.65

▸	GCGR	P47871	1/20	0.65

▸	GIPR	P48546	1/20	0.65

▸	IL23R	Q5VWK5	11/20	0.63

▸	NR3C1	P04150	4/20	0.61

▸	ECE1	P42892	1/20	0.60

▸	MUS81	Q96NY9	1/20	0.60

▸	KISS1R	Q969F8	1/20	0.59

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
SCHEMBL30299227	0.93	GLP1R (0.68)	GLP1RGCGRGIPRIL23RNR3C1
SCHEMBL29638070	0.90	GLP1R (0.65)	GLP1RGCGRGIPRNR3C1ECE1
SCHEMBL29540171	0.90	IL23R (0.64)	GLP1RGCGRGIPRIL23RKISS1R
SCHEMBL30906400	0.90	GLP1R (0.69)	GLP1RGCGRGIPRNR3C1ECE1
SCHEMBL31683332	0.90	NR3C1 (0.69)	GLP1RGCGRGIPRIL23RNR3C1
SCHEMBL31665973	0.90	GLP1R (0.65)	GLP1RGCGRGIPRIL23RNR3C1
SCHEMBL34467247	0.89	IL23R (0.64)	IL23RKISS1R
SCHEMBL29540457	0.89	GLP1R (0.63)	GLP1RGCGRGIPRIL23RNR3C1
SCHEMBL30607349	0.89	NR3C1 (0.69)	GLP1RGCGRGIPRNR3C1ECE1
SCHEMBL11420342	0.89	IL23R (0.66)	IL23R

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
US-20230065816-A1	METHODS FOR PREVENTING AND REVERSING OPIOID ANALGESIC TOLERANCE IN SUBJECTS WITH CHRONIC PAIN	THE REASEARCH FOUND FOR SUNY (US)	2023-03-02	—	—	US	disclosed