SCHEMBL7452803

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

nearest known ligand 0.34

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	6/20	0.34

▸	DPP8	Q6V1X1	1/20	0.34

▸	DPP9	Q86TI2	1/20	0.34

▸	SMO	Q99835	1/20	0.31

▸	ALDH1A1	P00352	2/20	0.31

▸	SIGMAR1	Q99720	1/20	0.31

▸	LMNA	P02545	1/20	0.31

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
SCHEMBL7452809	1.00	CCR5 (0.34)	CCR5DPP8DPP9SMOALDH1A1
SCHEMBL7448944	0.95	DPP8 (0.34)	CCR5DPP8DPP9ALDH1A1
SCHEMBL7448941	0.95	DPP8 (0.34)	CCR5DPP8DPP9ALDH1A1
SCHEMBL7461111	0.89	CCR5 (0.34)	CCR5DPP8DPP9ALDH1A1SIGMAR1
SCHEMBL7461108	0.89	CCR5 (0.34)	CCR5DPP8DPP9ALDH1A1SIGMAR1
SCHEMBL8541841	0.86	CCR5 (0.35)	CCR5ALDH1A1SIGMAR1
SCHEMBL7453530	0.86	CCR2 (0.36)	DPP8DPP9ALDH1A1SIGMAR1
SCHEMBL7453533	0.86	CCR2 (0.36)	DPP8DPP9ALDH1A1SIGMAR1
SCHEMBL8444941	0.85	DPP8 (0.37)	CCR5DPP8DPP9ALDH1A1
SCHEMBL7453675	0.85	ALDH1A1 (0.36)	DPP8DPP9ALDH1A1SIGMAR1

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 2 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
EP-0882728-A1	1-METHYLCARBAPENEM DERIVATIVES	SANKYO COMPANY LIMITED (JP)	1998-12-09	—	—	EP	disclosed