SCHEMBL8449152

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

nearest known ligand 0.37

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	7/20	0.36

▸	GRIN2B	Q13224	1/20	0.35

▸	NR1D1	P20393	2/20	0.34

▸	NR1H3	Q13133	1/20	0.34

▸	NR1D2	Q14995	1/20	0.34

▸	ALDH1A1	P00352	2/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	SIGMAR1	Q99720	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
SCHEMBL8447213	0.93	GRIN2B (0.37)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL7450103	0.93	GRIN2B (0.37)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8444881	0.89	GRIN2B (0.36)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8448915	0.87	NR1D1 (0.34)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8445632	0.86	CCR5 (0.34)	CCR5NR1D1NR1H3NR1D2HTT
SCHEMBL8444892	0.86	CCR5 (0.40)	CCR5
SCHEMBL7460564	0.85	GRIN2B (0.37)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8447187	0.85	ALDH1A1 (0.36)	CCR5NR1D1NR1H3NR1D2ALDH1A1
SCHEMBL8449288	0.84	CCR5 (0.35)	CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL9039384	0.84	CCR5 (0.39)	CCR5GRIN2BALDH1A1MAPTHPGD

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-5977097-A	1-methylcarbapenem derivatives	SANKYO COMPANY LIMITED (JP)	1999-11-02	—	—	US	disclosed
EP-0900797-A1	1-METHYLCARBAPENEM DERIVATIVES	SANKYO COMPANY LIMITED (JP)	1999-03-10	—	—	EP	disclosed