SCHEMBL6944029

SCHEMBL6944029

O=C(S[C@H]1C[C@@H](C(=O)N2CCNCC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCR5 P51681 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
Dimethylamine SCHEMBL6944296 0.88 ATM (0.38) ATMTDP1ALDH1A1HTT
SCHEMBL6949361 0.88 DPP8 (0.39) ATMTDP1ALDH1A1
SCHEMBL6945782 0.87 MMP9 (0.42) KCNJ1KCNH2ALDH1A1
SCHEMBL6945381 0.87 ATM (0.45) ATMTDP1CCR5ALDH1A1HTT
SCHEMBL6944292 0.87 CCR5 (0.38) ATMTDP1CCR5ALDH1A1HTT
SCHEMBL8988351 0.87 DPP8 (0.39) ATMTDP1
SCHEMBL6939196 0.85 PREP (0.44) ALDH1A1HTT
SCHEMBL6945390 0.85 ALDH1A1 (0.37) ATMTDP1CCR5ALDH1A1HTT
SCHEMBL6944285 0.84 DPP8 (0.45) ATMTDP1
SCHEMBL8988171 0.84 ATM (0.35) ATMTDP1CCR5ALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed