SCHEMBL13084645

CC(O)C(NC(=O)CNC(=O)COCOCC(=O)NCC(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O)C(C)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	16/20	0.47

▸	CALCR	P30988	16/20	0.47

▸	IL23R	Q5VWK5	1/20	0.44

▸	OPRM1	P35372	2/20	0.43

▸	OPRK1	P41145	2/20	0.43

▸	GRB2	P62993	1/20	0.43

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
SCHEMBL12314876	1.00	RAMP3 (0.47)	RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL13084700	1.00	RAMP3 (0.47)	RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL12314880	1.00	RAMP3 (0.47)	RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL16330316	0.94	RAMP3 (0.45)	RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL12339085	0.91	RAMP3 (0.46)	RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL16351204	0.91	RAMP3 (0.46)	RAMP3CALCRIL23ROPRM1OPRK1
SCHEMBL14452355	0.89	GRB2 (0.45)	RAMP3CALCROPRM1OPRK1GRB2
SCHEMBL16351202	0.88	OPRM1 (0.49)	RAMP3CALCROPRM1OPRK1GRB2
SCHEMBL16340730	0.85	RAMP3 (0.50)	RAMP3CALCRIL23R
SCHEMBL13084631	0.85	GRB2 (0.50)	RAMP3CALCROPRM1OPRK1GRB2

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
US-7820621-B2	Compounds for targeting endothelial cells, compositions containing the same and methods for their use	BRACCO INTERNATIONAL B.V. (NL)	2010-10-26	—	—	US	disclosed