SCHEMBL8102657

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

nearest known ligand 0.36

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	19/20	0.36

▸	ALDH1A1	P00352	1/20	0.35

▸	LMNA	P02545	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
SCHEMBL8540345	0.90	ALDH1A1 (0.34)	CCR5ALDH1A1LMNA
SCHEMBL8537620	0.90	ALDH1A1 (0.34)	CCR5ALDH1A1LMNA
SCHEMBL8095156	0.88	CCR5 (0.38)	CCR5
SCHEMBL8542201	0.88	CCR5 (0.38)	CCR5
SCHEMBL8108693	0.88	CCR5 (0.38)	CCR5
SCHEMBL8110594	0.88	CCR5 (0.38)	CCR5
SCHEMBL8440492	0.85	CCR5 (0.38)	CCR5ALDH1A1LMNA
SCHEMBL8437869	0.85	CCR5 (0.38)	CCR5ALDH1A1LMNA
SCHEMBL8108963	0.84	ALDH1A1 (0.38)	CCR5ALDH1A1LMNA
SCHEMBL8110554	0.84	CCR5 (0.46)	CCR5ALDH1A1LMNA

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
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