SCHEMBL8102813

CN1C[C@@H](S)C[C@H]1C(=O)N1CC[C@H](NC(=O)CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C(N)=NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SIGMAR1	Q99720	2/20	0.33

▸	CCR2	P41597	2/20	0.33

▸	CCR5	P51681	9/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	LMNA	P02545	1/20	0.32

▸	DPP8	Q6V1X1	1/20	0.32

▸	DPP9	Q86TI2	1/20	0.32

▸	EPHX2	P34913	1/20	0.32

▸	KMT2A	Q03164	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
SCHEMBL7453536	0.91	SIGMAR1 (0.33)	SIGMAR1CCR2CCR5ALDH1A1LMNA
SCHEMBL5670553	0.91	CCR5 (0.32)	SIGMAR1CCR2CCR5ALDH1A1LMNA
SCHEMBL5669278	0.90	SIGMAR1 (0.35)	SIGMAR1CCR2CCR5ALDH1A1LMNA
SCHEMBL9574276	0.89	ALDH1A1 (0.36)	SIGMAR1CCR2ALDH1A1LMNADPP8
SCHEMBL9574384	0.89	ALDH1A1 (0.36)	SIGMAR1CCR2ALDH1A1LMNADPP8
SCHEMBL7453683	0.88	SIGMAR1 (0.35)	SIGMAR1CCR5ALDH1A1LMNADPP8
SCHEMBL8095143	0.87	ALDH1A1 (0.35)	CCR2CCR5ALDH1A1
SCHEMBL8448811	0.87	ALDH1A1 (0.34)	CCR5ALDH1A1LMNADPP8DPP9
SCHEMBL7456013	0.86	SIGMAR1 (0.40)	SIGMAR1CCR2CCR5ALDH1A1LMNA
SCHEMBL7453403	0.85	CCR5 (0.32)	CCR5DPP8DPP9

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
US-6090802-A	BACTERICIDE	SANKYO COMPANY, LIMITED (JP)	2000-07-18	—	—	US	disclosed