SCHEMBL8156014

CCOC(=O)Cn1nc2c(c1O)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)CC2

nearest known ligand 0.38

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	2/20	0.38

▸	ITGA2B	P08514	2/20	0.38

▸	ITGA4	P13612	2/20	0.34

▸	ITGB7	P26010	2/20	0.34

▸	ADORA1	P30542	2/20	0.34

▸	LMNA	P02545	1/20	0.32

▸	KCNJ1	P48048	1/20	0.30

▸	KCNH2	Q12809	1/20	0.30

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
SCHEMBL7993666	0.94	ITGB3 (0.37)	ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL8125176	0.93	ITGB3 (0.45)	ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL7986788	0.87	ITGB3 (0.43)	ITGB3ITGA2BADORA1LMNA
SCHEMBL7994609	0.86	ITGB3 (0.37)	ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL7993159	0.83	ITGB3 (0.57)	ITGB3ITGA2BITGA4ITGB7
SCHEMBL7987826	0.83	ITGB3 (0.48)	ITGB3ITGA2BITGA4ITGB7
SCHEMBL7987698	0.82	ITGB3 (0.49)	ITGB3ITGA2BITGA4ITGB7
SCHEMBL7989036	0.82	ADORA1 (0.35)	ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL7975307	0.82	ITGB3 (0.58)	ITGB3ITGA2BADORA1LMNA
SCHEMBL7975256	0.82	ITGB3 (0.44)	ITGB3ITGA2BADORA1LMNA

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-1020467-A1	N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF	UBE INDUSTRIES LIMITED (JP)	2000-07-19	—	—	EP	disclosed