SCHEMBL30299221

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

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.73

▸	CCKBR	P32239	1/20	0.73

▸	GCGR	P47871	1/20	0.72

▸	GIPR	P48546	1/20	0.72

▸	ECE1	P42892	1/20	0.71

▸	MUS81	Q96NY9	1/20	0.71

▸	PTH1R	Q03431	6/20	0.69

▸	RXFP1	Q9HBX9	1/20	0.66

▸	NR3C1	P04150	1/20	0.65

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
SCHEMBL29429591	0.96	GLP1R (0.76)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL30404098	0.94	PTH1R (0.72)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL29429571	0.93	PTH1R (0.72)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL31694503	0.93	PTH1R (0.72)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL31000919	0.93	GLP1R (0.76)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL29705113	0.92	GLP1R (0.68)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL29913332	0.92	GLP1R (0.74)	GLP1RCCKBRECE1MUS81PTH1R
SCHEMBL29942531	0.92	GLP1R (0.78)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL30294229	0.92	GLP1R (0.75)	GLP1RCCKBRGCGRGIPRECE1
SCHEMBL31694505	0.92	GLP1R (0.71)	GLP1RCCKBRGCGRGIPRECE1

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