SCHEMBL29568978

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

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TLR2	O60603	4/20	0.65

▸	GLP1R	P43220	4/20	0.59

▸	GCGR	P47871	1/20	0.59

▸	GIPR	P48546	1/20	0.59

▸	PTH1R	Q03431	7/20	0.59

▸	RXFP1	Q9HBX9	3/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	MAGI3	Q5TCQ9	1/20	0.56

▸	CCKBR	P32239	1/20	0.54

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
SCHEMBL29360549	0.90	GLP1R (0.66)	TLR2GLP1RGCGRGIPRPTH1R
SCHEMBL30617744	0.89	TLR2 (0.60)	TLR2GLP1RGCGRGIPRPTH1R
SCHEMBL29970258	0.89	GLP1R (0.63)	TLR2GLP1RGCGRGIPRPTH1R
SCHEMBL30432684	0.89	TLR2 (0.60)	TLR2GLP1RPTH1RMAGI3
SCHEMBL29694498	0.88	GLP1R (0.60)	TLR2GLP1RGCGRGIPRPTH1R
SCHEMBL31694505	0.87	GLP1R (0.71)	GLP1RGCGRGIPRPTH1RRXFP1
SCHEMBL29427174	0.87	MAGI3 (0.59)	TLR2GLP1RKEAP1MAGI3
SCHEMBL30601285	0.87	GLP1R (0.64)	TLR2GLP1RGCGRGIPRPTH1R
SCHEMBL31020886	0.87	RXFP1 (0.66)	TLR2GLP1RGCGRGIPRPTH1R
SCHEMBL31182833	0.87	PTH1R (0.70)	GLP1RGCGRGIPRPTH1RRXFP1

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed