SCHEMBL29669730

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

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPBWR1	P48145	4/20	0.64

▸	RXFP1	Q9HBX9	4/20	0.63

▸	IL23R	Q5VWK5	6/20	0.61

▸	GLP1R	P43220	3/20	0.61

▸	CCKBR	P32239	1/20	0.61

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	PTH1R	Q03431	2/20	0.58

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	SLC2A1	P11166	1/20	0.56

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
SCHEMBL30773849	0.97	NPBWR1 (0.67)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL29669608	0.95	NPBWR1 (0.65)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL29669568	0.95	NPBWR1 (0.66)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL29669735	0.95	RXFP1 (0.64)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL30773786	0.92	NPBWR1 (0.68)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL30773852	0.92	NPBWR1 (0.69)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL29669569	0.91	NPBWR1 (0.66)	NPBWR1RXFP1IL23RGLP1RCCKBR
SCHEMBL30773708	0.91	RXFP1 (0.59)	NPBWR1RXFP1IL23RGLP1RPTH1R
SCHEMBL30092999	0.90	NPBWR1 (0.59)	NPBWR1IL23RGLP1RGCGRGIPR
SCHEMBL31182951	0.90	GLP1R (0.73)	RXFP1IL23RGLP1RCCKBRGCGR

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-114641486-A	For reducing CB1Peptide compounds of side effects of receptor agonists	庞培法布拉大学	2022-06-17	—	—	CN	disclosed