SCHEMBL8449288

SCHEMBL8449288

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.35
GRIN2B Q13224 1/20 0.34
NR1D1 P20393 3/20 0.34
NR1H3 Q13133 1/20 0.34
NR1D2 Q14995 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GAA P10253 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8449100 0.91 ALDH1A1 (0.35) CCR5NR1D1NR1H3NR1D2ALDH1A1
SCHEMBL8444872 0.91 ALDH1A1 (0.35) CCR5NR1D1NR1H3NR1D2ALDH1A1
SCHEMBL7450103 0.89 GRIN2B (0.37) CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8447213 0.89 GRIN2B (0.37) CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8444889 0.85 TPSAB1 (0.40) GRIN2BALDH1A1MAPTF2PLG
SCHEMBL8445887 0.85 TPSAB1 (0.40) GRIN2BALDH1A1MAPTF2PLG
SCHEMBL8449152 0.84 CCR5 (0.36) CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8444881 0.84 GRIN2B (0.36) CCR5GRIN2BNR1D1NR1H3NR1D2
SCHEMBL8436695 0.84 HSD11B1 (0.35) ALDH1A1MAPTDPP8DPP9
SCHEMBL8444892 0.84 CCR5 (0.40) CCR5

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