SCHEMBL6945388

SCHEMBL6945388

NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[C@@H]2C[C@H](SC(=O)c3ccccc3)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
P2RX7 Q99572 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 1/20 0.34
RAB9A P51151 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL8988351 0.90 DPP8 (0.39) DPP8DPP9P2RX7ATMTDP1
SCHEMBL6945390 0.89 ALDH1A1 (0.37) DPP8DPP9P2RX7ATMTDP1
SCHEMBL8988171 0.86 ATM (0.35) ATMTDP1CCR5RAB9AMCHR1
SCHEMBL8988377 0.85 DPP8 (0.48) DPP8DPP9TDP1RAB9AMCHR1
SCHEMBL6944029 0.84 ATM (0.40) ATMTDP1CCR5ALDH1A1
Dimethylamine SCHEMBL6944296 0.84 ATM (0.38) P2RX7ATMTDP1MCHR1ALDH1A1
SCHEMBL6944285 0.83 DPP8 (0.45) DPP8DPP9P2RX7ATMTDP1
SCHEMBL6945782 0.83 MMP9 (0.42) ALDH1A1
SCHEMBL6944292 0.82 CCR5 (0.38) ATMTDP1CCR5RAB9AALDH1A1
SCHEMBL6949361 0.82 DPP8 (0.39) DPP8DPP9P2RX7ATMTDP1

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 3 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