SCHEMBL19712222

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

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	4/20	0.57

▸	RXFP1	Q9HBX9	2/20	0.56

▸	TLR2	O60603	4/20	0.55

▸	MAGI3	Q5TCQ9	1/20	0.54

▸	GLP1R	P43220	5/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	EDNRA	P25101	1/20	0.53

▸	IL23R	Q5VWK5	1/20	0.53

▸	CCKBR	P32239	1/20	0.53

▸	ERBB2	P04626	1/20	0.52

▸	ECE1	P42892	1/20	0.51

▸	MUS81	Q96NY9	1/20	0.51

▸	GRPR	P30550	1/20	0.50

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
SCHEMBL19712223	1.00	PTH1R (0.57)	PTH1RRXFP1TLR2MAGI3GLP1R
SCHEMBL29377904	0.98	RXFP1 (0.57)	PTH1RRXFP1TLR2MAGI3GLP1R
SCHEMBL21305550	0.98	RXFP1 (0.57)	PTH1RRXFP1TLR2MAGI3GLP1R
SCHEMBL31694490	0.89	IL23R (0.57)	PTH1RRXFP1TLR2MAGI3GLP1R
SCHEMBL30148129	0.87	MAGI3 (0.58)	PTH1RRXFP1TLR2MAGI3EDNRA
SCHEMBL30512677	0.87	MAGI3 (0.62)	RXFP1TLR2MAGI3GLP1RGCGR
SCHEMBL30254345	0.87	ERBB2 (0.60)	MAGI3GLP1RGCGRGIPREDNRA
SCHEMBL30721593	0.86	MAGI3 (0.58)	PTH1RRXFP1TLR2MAGI3EDNRA
SCHEMBL31182736	0.86	MAGI3 (0.62)	PTH1RRXFP1TLR2MAGI3GLP1R
SCHEMBL31182479	0.85	GLP1R (0.57)	PTH1RGLP1RGCGRGIPRIL23R

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-3257863-A1	FLOUROUS METABOLICALLY STABLE PEPTIDE ANALOGS	Université de Strasbourg (FR)	2017-12-20	—	—	EP	disclosed