SCHEMBL29569256

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	9/20	0.44

▸	ITGA2B	P08514	1/20	0.44

▸	SIRT2	Q8IXJ6	4/20	0.42

▸	SIRT1	Q96EB6	4/20	0.42

▸	SIRT3	Q9NTG7	4/20	0.42

▸	ITGAV	P06756	8/20	0.41

▸	ITGB5	P18084	7/20	0.41

▸	ITGB1	P05556	2/20	0.41

▸	ITGA5	P08648	2/20	0.41

▸	NNMT	P40261	1/20	0.40

▸	SIRT7	Q9NRC8	3/20	0.40

▸	SIRT6	Q8N6T7	2/20	0.40

▸	TPSAB1	Q15661	1/20	0.39

▸	GNAI1	P63096	1/20	0.39

▸	CACNA1B	Q00975	1/20	0.38

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
SCHEMBL29569103	1.00	ITGB3 (0.44)	ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL8321039	0.91	ITGB3 (0.56)	ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL18968797	0.90	ITGB3 (0.51)	ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL29568895	0.90	ITGB3 (0.51)	ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL12518412	0.90	ITGB3 (0.44)	ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL21848870	0.90	ITGB3 (0.49)	ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL29569086	0.88	ITGB3 (0.49)	ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL29569013	0.87	TPSAB1 (0.48)	ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL29569477	0.87	TPSAB1 (0.48)	ITGB3ITGA2BSIRT2SIRT1SIRT3
SCHEMBL29569175	0.87	TPSAB1 (0.48)	ITGB3ITGA2BSIRT2SIRT1SIRT3

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