SCHEMBL8437832

SCHEMBL8437832

C[C@@H]1CN(C(=O)[C@@H]2C[C@H](S)CN2C)CCN1C(=N)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
NPBWR1 P48145 2/20 0.34
MCHR1 Q99705 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
CTSL P07711 2/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8576628 0.91 PDK1 (0.38) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8434826 0.91 PDK1 (0.38) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8435893 0.90 DPP8 (0.41) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8439623 0.88 DPP8 (0.43) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8435956 0.80 PDK1 (0.45) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8588093 0.80 PDK1 (0.45) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8435953 0.80 PDK1 (0.45) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8435984 0.80 HSD11B1 (0.44) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL8435987 0.80 HSD11B1 (0.44) DPP8DPP9ALDH1A1MAPTHPGD
SCHEMBL8541802 0.80 ALDH1A1 (0.37) DPP8DPP9ALDH1A1MAPTLMNA

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