SCHEMBL8095104

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

▸	GRIN2B	Q13224	1/20	0.34

▸	NR1D1	P20393	2/20	0.34

▸	NR1H3	Q13133	1/20	0.34

▸	NR1D2	Q14995	1/20	0.34

▸	KMT2A	Q03164	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	DPP8	Q6V1X1	1/20	0.33

▸	DPP9	Q86TI2	1/20	0.33

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
SCHEMBL8535077	1.00	CCR5 (0.35)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8104734	1.00	CCR5 (0.35)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8104679	1.00	CCR5 (0.35)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8542201	0.88	CCR5 (0.38)	CCR5
SCHEMBL8110594	0.88	CCR5 (0.38)	CCR5
SCHEMBL8108693	0.88	CCR5 (0.38)	CCR5
SCHEMBL8095156	0.88	CCR5 (0.38)	CCR5
SCHEMBL8095084	0.85	DPP8 (0.41)	GRIN2BKMT2AALDH1A1LMNADPP8
SCHEMBL8095088	0.85	DPP8 (0.41)	GRIN2BKMT2AALDH1A1LMNADPP8
SCHEMBL8447213	0.84	GRIN2B (0.37)	CCR5GRIN2BNR1D1NR1H3NR1D2

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