SCHEMBL7861793

CC(=O)S[C@H]1C[C@@H](Cc2cccc(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ECE1	P42892	1/20	0.36

▸	HTR2A	P28223	1/20	0.36

▸	HTT	P42858	1/20	0.36

▸	DPP8	Q6V1X1	1/20	0.36

▸	DPP9	Q86TI2	1/20	0.36

▸	CYP19A1	P11511	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	ATM	Q13315	1/20	0.35

▸	FAAH	O00519	1/20	0.35

▸	MGLL	Q99685	1/20	0.35

▸	MAOA	P21397	1/20	0.35

▸	MAOB	P27338	1/20	0.35

▸	FFAR1	O14842	1/20	0.35

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
SCHEMBL7860568	0.94	HTT (0.38)	ECE1HTTDPP8DPP9CYP19A1
SCHEMBL7859871	0.87	DPP8 (0.40)	HTTDPP8DPP9ALDH1A1ATM
SCHEMBL7859865	0.84	DPP8 (0.38)	HTTDPP8DPP9ALDH1A1ATM
SCHEMBL7858333	0.82	MAOB (0.39)	DPP8DPP9ALDH1A1MAOB
SCHEMBL7854735	0.82	DPP8 (0.36)	HTTDPP8DPP9ALDH1A1ATM
SCHEMBL7860059	0.81	ATM (0.46)	HTTALDH1A1ATM
SCHEMBL7860576	0.80	DPP8 (0.39)	DPP8DPP9ALDH1A1ATM
SCHEMBL7859712	0.80	DPP8 (0.39)	DPP8DPP9ALDH1A1ATM
SCHEMBL7858354	0.79	DPP8 (0.37)	HTTDPP8DPP9CYP19A1ALDH1A1
SCHEMBL10390679	0.79	GAA (0.45)	HTTDPP8DPP9ALDH1A1

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-0747381-B1	CARBAPENEM DERIVATIVE	BANYU PHARMA CO LTD (JP)	2001-10-31	—	—	EP	disclosed