SCHEMBL8448648

SCHEMBL8448648

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR5 P51681 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTRA1 Q92743 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8444914 1.00 GRIN2B (0.37) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL8522246 0.91 CCR5 (0.39) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL8444913 0.91 GRIN2B (0.38) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL7459542 0.91 GRIN2B (0.38) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL8445629 0.86 GRIN2B (0.39) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL8445627 0.86 GRIN2B (0.39) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL9574217 0.85 ALDH1A1 (0.40) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL9574299 0.85 ALDH1A1 (0.40) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL8435906 0.85 ALDH1A1 (0.40) GRIN2BALDH1A1MAPTSMN1; SMN2CCR5
SCHEMBL8438306 0.84 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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