SCHEMBL29973140

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

nearest known ligand 0.61

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.61

▸	PTH1R	Q03431	4/20	0.61

▸	GLP1R	P43220	12/20	0.60

▸	CCKBR	P32239	1/20	0.57

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
SCHEMBL29565282	0.98	GLP1R (0.60)	CALCRPTH1RGLP1R
SCHEMBL31376429	0.97	PTH1R (0.60)	CALCRPTH1RGLP1R
SCHEMBL29973297	0.95	GLP1R (0.62)	GLP1RCCKBR
SCHEMBL29973649	0.91	GLP1R (0.61)	PTH1RGLP1RCCKBR
SCHEMBL31574195	0.91	GLP1R (0.63)	CALCRPTH1RGLP1RCCKBR
SCHEMBL30576939	0.91	PTH1R (0.65)	PTH1RGLP1RCCKBR
SCHEMBL31331962	0.90	GLP1R (0.57)	CALCRPTH1RGLP1R
SCHEMBL29973471	0.90	GLP1R (0.60)	GLP1RCCKBR
SCHEMBL31182893	0.89	PTH1R (0.67)	CALCRPTH1RGLP1RCCKBR
SCHEMBL29921851	0.89	PTH1R (0.65)	PTH1RGLP1RCCKBR

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed