SCHEMBL7448980

CN(CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)/C(=N/C(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	2/20	0.33

▸	HSD11B1	P28845	1/20	0.33

▸	DPP8	Q6V1X1	1/20	0.32

▸	DPP9	Q86TI2	1/20	0.32

▸	SIGMAR1	Q99720	2/20	0.32

▸	EPHX2	P34913	1/20	0.32

▸	ENPP2	Q13822	2/20	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
SCHEMBL7448985	1.00	CCR5 (0.33)	CCR5HSD11B1DPP8DPP9SIGMAR1
SCHEMBL7451764	0.95	DPP8 (0.32)	CCR5DPP8DPP9
SCHEMBL7451757	0.95	DPP8 (0.32)	CCR5DPP8DPP9
SCHEMBL8102844	0.94	SIGMAR1 (0.34)	CCR5HSD11B1DPP8DPP9SIGMAR1
SCHEMBL8102842	0.94	SIGMAR1 (0.34)	CCR5HSD11B1DPP8DPP9SIGMAR1
SCHEMBL7461108	0.88	CCR5 (0.34)	CCR5DPP8DPP9SIGMAR1
SCHEMBL7461111	0.88	CCR5 (0.34)	CCR5DPP8DPP9SIGMAR1
SCHEMBL8448820	0.88	GRIN2B (0.34)	CCR5DPP8DPP9
SCHEMBL8448823	0.88	GRIN2B (0.34)	CCR5DPP8DPP9
SCHEMBL7458767	0.88	ALDH1A1 (0.35)	CCR5

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-0882728-B1	1-METHYLCARBAPENEM DERIVATIVES	SANKYO CO (JP)	2002-09-04	—	—	EP	disclosed
US-6090802-A	BACTERICIDE	SANKYO COMPANY, LIMITED (JP)	2000-07-18	—	—	US	disclosed
EP-0882728-A1	1-METHYLCARBAPENEM DERIVATIVES	SANKYO COMPANY LIMITED (JP)	1998-12-09	—	—	EP	disclosed