SCHEMBL6944079

SCHEMBL6944079

O=C(NCC(=O)N1CCNCC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
KCNJ1 P48048 2/20 0.47
KCNH2 Q12809 2/20 0.47
RECQL P46063 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB1 P08588 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43

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
SCHEMBL11289563 0.93 DPP8 (0.55) DPP8DPP9KCNJ1KCNH2RECQL
SCHEMBL31095868 0.87 TPSAB1 (0.49) DPP8DPP9ALDH1A1LMNAMAPT
SCHEMBL6943435 0.87 DPP8 (0.58) DPP8DPP9KCNJ1KCNH2RECQL
SCHEMBL31095638 0.84 DPP8 (0.48) DPP8DPP9RECQLALDH1A1LMNA
SCHEMBL8435707 0.83 DPP8 (0.48) DPP8DPP9KCNJ1KCNH2RECQL
SCHEMBL5873672 0.83 GAA (0.55) ALDH1A1LMNAGAAKMT2A
SCHEMBL3039451 0.83 KCNJ1 (0.53) DPP8DPP9KCNJ1KCNH2RECQL
SCHEMBL6944598 0.82 GAA (0.55) DPP8DPP9KCNJ1KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL5724126 0.82 KCNJ1 (0.52) DPP8DPP9KCNJ1KCNH2RECQL
SCHEMBL7683566 0.82 GAA (0.54) ALDH1A1LMNAGAAKMT2A

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