SCHEMBL8439623

SCHEMBL8439623

CN1C[C@@H](S)C[C@H]1C(=O)N1CCCN(C(=N)NC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
MCHR1 Q99705 6/20 0.39
NPBWR1 P48145 5/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 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
SCHEMBL8435893 0.97 DPP8 (0.41) DPP8DPP9MCHR1NPBWR1ALDH1A1
SCHEMBL8434929 0.89 DPP8 (0.42) DPP8DPP9MCHR1NPBWR1ALDH1A1
SCHEMBL8437832 0.88 DPP8 (0.38) DPP8DPP9MCHR1NPBWR1ALDH1A1
SCHEMBL8540916 0.82 GAA (0.42) DPP8DPP9ALDH1A1MAPTSMN1; SMN2
SCHEMBL8439220 0.81 DPP8 (0.43) DPP8DPP9ALDH1A1MAPTSMN1; SMN2
SCHEMBL8436425 0.81 MCHR1 (0.39) MCHR1NPBWR1ALDH1A1MAPTATM
SCHEMBL8440372 0.81 RECQL (0.37) DPP8DPP9MCHR1NPBWR1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8435163 0.80 DPP8 (0.38) DPP8DPP9MCHR1NPBWR1ALDH1A1
SCHEMBL8435984 0.80 HSD11B1 (0.44) DPP8DPP9ALDH1A1MAPTSMN1; SMN2
SCHEMBL8435987 0.80 HSD11B1 (0.44) DPP8DPP9ALDH1A1MAPTSMN1; SMN2

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-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