SCHEMBL8522246

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@H](CN(C(=O)OCc4ccc([N+](=O)[O-])cc4)C4CC4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	11/20	0.39

▸	GRIN2B	Q13224	1/20	0.37

▸	ALDH1A1	P00352	2/20	0.37

▸	MAPT	P10636	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.37

▸	HTR2A	P28223	1/20	0.35

▸	GAA	P10253	1/20	0.34

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
SCHEMBL7459542	0.92	GRIN2B (0.38)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8444913	0.92	GRIN2B (0.38)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8448648	0.91	GRIN2B (0.37)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8444914	0.91	GRIN2B (0.37)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8445629	0.87	GRIN2B (0.39)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8445627	0.87	GRIN2B (0.39)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8435906	0.87	ALDH1A1 (0.40)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL9574217	0.87	ALDH1A1 (0.40)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL9574299	0.87	ALDH1A1 (0.40)	CCR5GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL8438306	0.85	ALDH1A1 (0.41)	GRIN2BALDH1A1MAPTSMN1; SMN2GAA

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