SCHEMBL7457986

CC(=O)N(C1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	11/20	0.35

▸	ALDH1A1	P00352	1/20	0.32

▸	MAPT	P10636	1/20	0.32

▸	HPGD	P15428	1/20	0.32

▸	NPC1	O15118	1/20	0.32

▸	RAB9A	P51151	1/20	0.32

▸	TDP1	Q9NUW8	1/20	0.31

▸	DPP8	Q6V1X1	1/20	0.30

▸	DPP9	Q86TI2	1/20	0.30

▸	MAOB	P27338	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
SCHEMBL7448950	0.84	CCR5 (0.33)	CCR5ALDH1A1MAPTHPGDNPC1
SCHEMBL8440008	0.81	ALDH1A1 (0.37)	CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL7457491	0.81	DPP8 (0.32)	CCR5ALDH1A1MAPTHPGDNPC1
SCHEMBL8105057	0.81	DPP8 (0.32)	CCR5ALDH1A1MAPTHPGDNPC1
SCHEMBL7454239	0.81	CCR5 (0.31)	CCR5ALDH1A1MAPTNPC1RAB9A
SCHEMBL7449752	0.81	DPP8 (0.32)	CCR5ALDH1A1MAPTHPGDNPC1
SCHEMBL7452820	0.81	CCR5 (0.34)	CCR5ALDH1A1
SCHEMBL7453403	0.81	CCR5 (0.32)	CCR5NPC1RAB9ATDP1DPP8
SCHEMBL7453401	0.81	DPP8 (0.33)	CCR5ALDH1A1MAPTHPGDTDP1
SCHEMBL8435146	0.80	ALDH1A1 (0.39)	CCR5ALDH1A1MAPTHPGDTDP1

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-0882728-B1	1-METHYLCARBAPENEM DERIVATIVES	SANKYO CO (JP)	2002-09-04	—	—	EP	disclosed