SCHEMBL6946787

O=C(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	DPP8	Q6V1X1	1/20	0.42

▸	DPP9	Q86TI2	1/20	0.42

▸	TPSAB1	Q15661	3/20	0.38

▸	TPSD1	Q9BZJ3	3/20	0.38

▸	TPSG1	Q9NRR2	3/20	0.38

▸	RECQL	P46063	1/20	0.37

▸	KMT2A	Q03164	1/20	0.36

▸	PRSS1	P07477	1/20	0.34

▸	KCNJ1	P48048	1/20	0.34

▸	KCNH2	Q12809	1/20	0.34

▸	PREP	P48147	1/20	0.34

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
SCHEMBL6941021	0.97	DPP8 (0.44)	DPP8DPP9RECQLKMT2AKCNJ1
SCHEMBL6943983	0.87	DPP8 (0.49)	DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL6941351	0.85	DPP8 (0.44)	DPP8DPP9RECQLKMT2AKCNJ1
SCHEMBL6943475	0.85	DPP8 (0.44)	DPP8DPP9RECQLKMT2APREP
SCHEMBL9728223	0.83	DPP8 (0.46)	DPP8DPP9
SCHEMBL6945227	0.83	DPP8 (0.51)	DPP8DPP9TPSAB1TPSD1TPSG1
SCHEMBL6949361	0.83	DPP8 (0.39)	DPP8DPP9RECQLPREP
SCHEMBL9040433	0.82	ALDH1A1 (0.41)	KMT2A
SCHEMBL9040592	0.82	ALDH1A1 (0.41)	KMT2A
SCHEMBL9119637	0.82	DPP8 (0.45)	DPP8DPP9KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0641795-B9	CARBAPENEM DERIVATIVE	DAIICHI SEIYAKU CO (JP)	2003-01-29	—	—	EP	disclosed
EP-0641795-B1	CARBAPENEM DERIVATIVE	DAIICHI SEIYAKU CO (JP)	2002-09-25	—	—	EP	disclosed
EP-0641795-A1	CARBAPENEM DERIVATIVE	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1995-03-08	—	—	EP	disclosed