SCHEMBL8577660

O=CO[C@H]1C[C@H](C(=O)N2CCN(CC(O)C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RECQL	P46063	1/20	0.36

▸	HRH3	Q9Y5N1	1/20	0.35

▸	DPP8	Q6V1X1	1/20	0.34

▸	DPP9	Q86TI2	1/20	0.34

▸	OPRK1	P41145	1/20	0.34

▸	KCNJ1	P48048	1/20	0.34

▸	KCNH2	Q12809	1/20	0.34

▸	MGLL	Q99685	1/20	0.34

▸	NPBWR1	P48145	1/20	0.33

▸	MCHR1	Q99705	1/20	0.33

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
SCHEMBL8440385	0.88	DPP8 (0.37)	DPP8DPP9KCNJ1KCNH2MGLL
SCHEMBL8435665	0.85	KCNJ1 (0.38)	RECQLKCNJ1KCNH2
SCHEMBL9207326	0.81	TDP1 (0.42)	RECQL
SCHEMBL9126331	0.75	KCNJ1 (0.39)	KCNJ1KCNH2NPBWR1MCHR1
SCHEMBL8438315	0.75	KCNJ1 (0.39)	KCNJ1KCNH2NPBWR1MCHR1
SCHEMBL9728630	0.75	GAA (0.44)	KCNJ1KCNH2
SCHEMBL9728638	0.75	GAA (0.44)	KCNJ1KCNH2
SCHEMBL8543784	0.75	KCNJ1 (0.39)	OPRK1KCNJ1KCNH2
SCHEMBL8438015	0.75	KCNJ1 (0.39)	OPRK1KCNJ1KCNH2
SCHEMBL8438589	0.74	KCNJ1 (0.42)	KCNJ1KCNH2

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-5712267-A	Carbapenem derivatives, their preparation and their use as antibiotics	SANKYO COMPANY,. LIMITED (JP)	1998-01-27	—	—	US	disclosed