SCHEMBL8440385

SCHEMBL8440385

O=C(OCc1ccc([N+](=O)[O-])cc1)C(O)CN1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
DRD4 P21917 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MGLL Q99685 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8577660 0.88 RECQL (0.36) DPP8DPP9KCNJ1KCNH2MGLL
SCHEMBL8536750 0.86 KCNJ1 (0.42) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL8438589 0.86 KCNJ1 (0.42) KCNJ1KCNH2HRH2HRH1ALDH1A1
SCHEMBL9728223 0.86 DPP8 (0.46) DPP8DPP9TDP1
SCHEMBL8835181 0.86 KCNJ1 (0.37) DPP8DPP9TDP1KCNJ1KCNH2
SCHEMBL9040433 0.85 ALDH1A1 (0.41) TDP1HRH2HRH1ALDH1A1MAPT
SCHEMBL9040592 0.85 ALDH1A1 (0.41) TDP1HRH2HRH1ALDH1A1MAPT
SCHEMBL9119637 0.85 DPP8 (0.45) DPP8DPP9ALDH1A1MAPT
SCHEMBL6946646 0.85 DPP8 (0.45) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL8434840 0.84 HRH2 (0.41) TDP1KCNJ1KCNH2HRH2HRH1

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5614624-A THIO SUBSTITUTED, ANTIBIOTICS, CHEMICAL INTERMEDIATES SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5310735-A Carbapenem derivatives having antibiotic activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1994-05-10 US disclosed