SCHEMBL8435707

SCHEMBL8435707

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
ADRB1 P08588 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL8439463 0.93 KCNJ1 (0.44) DPP8DPP9KCNJ1KCNH2ADRB1
SCHEMBL6944079 0.83 DPP8 (0.52) DPP8DPP9KCNJ1KCNH2ADRB1
SCHEMBL8440339 0.82 ALDH1A1 (0.59) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL3039451 0.82 KCNJ1 (0.53) DPP8DPP9KCNJ1KCNH2ADRB1
Hydrochloric Acid SCHEMBL5724126 0.81 KCNJ1 (0.52) DPP8DPP9KCNJ1KCNH2ADRB1
SCHEMBL6943435 0.79 DPP8 (0.58) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL27388024 0.79 IDO1 (0.51) DPP8DPP9ALDH1A1MAPTRAB9A
SCHEMBL9661798 0.78 KCNJ1 (0.49) DPP8DPP9KCNJ1KCNH2ADRB1
SCHEMBL6943478 0.78 DPP8 (0.61) DPP8DPP9KCNJ1KCNH2ALDH1A1
SCHEMBL8435893 0.77 DPP8 (0.41) DPP8DPP9ALDH1A1MAPTTDP1

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0560613-B1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1998-11-25 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed