SCHEMBL8104535

O=C(N=C(NCCC(O)NC1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	DPP8	Q6V1X1	1/20	0.38

▸	DPP9	Q86TI2	1/20	0.38

▸	TGM2	P21980	1/20	0.33

▸	HTT	P42858	1/20	0.31

▸	TDP1	Q9NUW8	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
SCHEMBL7454234	0.89	DPP8 (0.36)	DPP8DPP9TGM2TDP1
SCHEMBL7454227	0.89	DPP8 (0.36)	DPP8DPP9TGM2TDP1
SCHEMBL7456507	0.87	DPP8 (0.38)	DPP8DPP9TGM2HTT
SCHEMBL7456513	0.87	DPP8 (0.38)	DPP8DPP9TGM2HTT
SCHEMBL7453951	0.87	DPP8 (0.36)	DPP8DPP9TGM2
SCHEMBL7453947	0.87	DPP8 (0.36)	DPP8DPP9TGM2
SCHEMBL7453411	0.87	DPP8 (0.35)	DPP8DPP9TGM2TDP1
SCHEMBL7453395	0.87	DPP8 (0.35)	DPP8DPP9TGM2TDP1
SCHEMBL7453944	0.87	DPP8 (0.35)	DPP8DPP9TGM2
SCHEMBL7453949	0.87	DPP8 (0.35)	DPP8DPP9TGM2

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-6090802-A	BACTERICIDE	SANKYO COMPANY, LIMITED (JP)	2000-07-18	—	—	US	disclosed