SCHEMBL4380506

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

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	10/20	0.62

▸	CCKBR	P32239	1/20	0.62

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	KEAP1	Q14145	1/20	0.61

▸	PTH1R	Q03431	1/20	0.61

▸	TFPI	P10646	1/20	0.60

▸	CALCR	P30988	3/20	0.59

▸	RXFP1	Q9HBX9	1/20	0.59

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
SCHEMBL31182663	0.94	CALCR (0.63)	GLP1RCCKBRCRHR1CRHR2KEAP1
SCHEMBL30435350	0.93	GLP1R (0.62)	GLP1RCCKBRCRHR1CRHR2KEAP1
SCHEMBL29499682	0.93	GLP1R (0.70)	GLP1RCCKBRCRHR1CRHR2PTH1R
SCHEMBL15787075	0.93	CALCR (0.64)	GLP1RCCKBRCRHR1CRHR2KEAP1
SCHEMBL30567726	0.93	GLP1R (0.58)	GLP1RCCKBRCRHR1CRHR2KEAP1
SCHEMBL29628071	0.92	CALCR (0.66)	GLP1RCCKBRCRHR1CRHR2PTH1R
SCHEMBL29628152	0.92	CALCR (0.66)	GLP1RCCKBRCRHR1CRHR2KEAP1
SCHEMBL29600136	0.92	GLP1R (0.69)	GLP1RCCKBRCRHR1CRHR2CALCR
SCHEMBL25303269	0.92	CALCR (0.66)	GLP1RCCKBRCRHR1CRHR2PTH1R
SCHEMBL29628084	0.92	CALCR (0.66)	GLP1RCCKBRCRHR1CRHR2KEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2009076388-A2	TARGETING VECTOR-PHOSPHOLIPID CONJUGATES	BRACCO INTERNATIONAL B.V. (NL)	2009-06-18	—	—	WO	disclosed
EP-1966388-A2	TARGETING VECTOR-PHOSPHOLIPID CONJUGATES	BRACCO INTERNATIONAL B.V. (NL)	2008-09-10	—	—	EP	disclosed
WO-2007067979-A2	TARGETING VECTOR-PHOSPHOLIPID CONJUGATES	BRACCO INTERNATIONAL B.V. (NL)	2007-06-14	—	—	WO	disclosed