SCHEMBL8435665

SCHEMBL8435665

O=CO[C@H]1C[C@H](C(=O)N2CCN(CCOC(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.38
KCNH2 Q12809 4/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
RECQL P46063 1/20 0.36
BCHE P06276 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL8434840 0.88 HRH2 (0.41) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8437995 0.88 HRH2 (0.41) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8579479 0.88 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8435945 0.88 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8438088 0.88 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8437967 0.88 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8439573 0.88 HRH2 (0.41) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8438360 0.87 KCNJ1 (0.38) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8579333 0.87 KCNJ1 (0.40) KCNJ1KCNH2HRH2HRH1BCHE
SCHEMBL8577660 0.85 RECQL (0.36) KCNJ1KCNH2RECQL

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-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed