SCHEMBL14615652

CC(C)C1NC(=O)C(CCCNC(=O)NCc2ccccc2)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2ccc(OCCCNC(=O)c3ccc(NN=Cc4ccccc4S(=O)(=O)O)nc3)cc2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	16/20	0.40

▸	ITGAV	P06756	16/20	0.40

▸	ITGB5	P18084	8/20	0.40

▸	AVPR2	P30518	1/20	0.38

▸	ITGB1	P05556	4/20	0.38

▸	ITGA5	P08648	4/20	0.38

▸	ITGB6	P18564	3/20	0.38

▸	ITGB8	P26012	3/20	0.38

▸	KDM4A	O75164	1/20	0.37

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
SCHEMBL7738586	1.00	ITGB3 (0.40)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL7744465	1.00	ITGB3 (0.40)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL14585812	1.00	ITGB3 (0.40)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL7738154	0.93	KDM4A (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL14585800	0.93	KDM4A (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL7746128	0.93	KDM4A (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL7738529	0.93	AVPR2 (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL7743942	0.93	AVPR2 (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL14615561	0.93	AVPR2 (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1
SCHEMBL14585823	0.93	AVPR2 (0.43)	ITGB3ITGAVITGB5AVPR2ITGB1

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-7179446-B2	Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent	BRISTOL-MYERS SQUIBB PHARMA COMPANY (US)	2007-02-20	—	—	US	disclosed