SCHEMBL7461111

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

nearest known ligand 0.34

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	7/20	0.34

▸	DPP8	Q6V1X1	1/20	0.32

▸	DPP9	Q86TI2	1/20	0.32

▸	LMNA	P02545	2/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

▸	SIGMAR1	Q99720	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	KMT2A	Q03164	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
SCHEMBL7461108	1.00	CCR5 (0.34)	CCR5DPP8DPP9LMNAKDM4E
SCHEMBL7452803	0.89	CCR5 (0.34)	CCR5DPP8DPP9LMNASIGMAR1
SCHEMBL7452809	0.89	CCR5 (0.34)	CCR5DPP8DPP9LMNASIGMAR1
SCHEMBL7448985	0.88	CCR5 (0.33)	CCR5DPP8DPP9SIGMAR1
SCHEMBL7448980	0.88	CCR5 (0.33)	CCR5DPP8DPP9SIGMAR1
SCHEMBL8448823	0.88	GRIN2B (0.34)	CCR5DPP8DPP9LMNAALDH1A1
SCHEMBL8448820	0.88	GRIN2B (0.34)	CCR5DPP8DPP9LMNAALDH1A1
SCHEMBL7461120	0.88	CCR5 (0.33)	CCR5
SCHEMBL7452820	0.86	CCR5 (0.34)	CCR5LMNAALDH1A1KMT2A
SCHEMBL8541841	0.85	CCR5 (0.35)	CCR5SIGMAR1ALDH1A1KMT2A

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