SCHEMBL4592217

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](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(C)=O)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]([C]=O)CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.62

▸	RXFP1	Q9HBX9	1/20	0.57

▸	GLP1R	P43220	5/20	0.56

▸	CCKBR	P32239	8/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	CXCL8	P10145	4/20	0.55

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
SCHEMBL29393291	0.86	GLP1R (0.69)	IL23RRXFP1GLP1RCCKBRGCGR
SCHEMBL29555569	0.83	KISS1R (0.65)	RXFP1GLP1R
SCHEMBL16772154	0.83	IL23R (0.61)	IL23RRXFP1GLP1RCCKBRGCGR
SCHEMBL1651126	0.83	GLP1R (0.70)	IL23RGLP1RCCKBR
SCHEMBL29406053	0.83	GLP1R (0.70)	IL23RGLP1RCCKBR
SCHEMBL31232401	0.83	GLP1R (0.62)	IL23RGLP1RCCKBRGCGRGIPR
SCHEMBL21305550	0.83	RXFP1 (0.57)	IL23RRXFP1GLP1RCCKBRGCGR
SCHEMBL29377904	0.83	RXFP1 (0.57)	IL23RRXFP1GLP1RCCKBRGCGR
SCHEMBL14190137	0.82	PTH1R (0.70)	IL23RRXFP1GLP1RCCKBR
SCHEMBL16317716	0.82	PTH1R (0.70)	IL23RRXFP1GLP1RCCKBR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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