SCHEMBL6603737

SCHEMBL6603737

O=C(O)CCCC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
FKBP1A P62942 9/20 0.45
PRCP P42785 1/20 0.43
ACE P12821 2/20 0.41
PREP P48147 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6601649 0.90 DPP8 (0.45) DPP4DPP8DPP7FKBP1APRCP
SCHEMBL6606642 0.90 DPP8 (0.45) DPP4DPP8DPP7FKBP1APRCP
SCHEMBL7454452 0.84 DPP8 (0.44) DPP4DPP8DPP7FKBP1AACE
SCHEMBL6605416 0.82 FKBP1A (0.49) DPP4DPP8DPP7FKBP1APREP
Trifluoroacetic Acid SCHEMBL6600269 0.77 FKBP1A (0.44) DPP4DPP8DPP7FKBP1AACE
SCHEMBL30610198 0.76 ALDH1A1 (0.50) DPP4DPP8DPP7
SCHEMBL2082597 0.74 PREP (0.69) FKBP1AACEPREP
SCHEMBL562368 0.74 LMNA (0.56) PREP
SCHEMBL29004401 0.74 LMNA (0.56) PREP
SCHEMBL6216080 0.74 PREP (0.54) PREP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924210-B1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives WYETH K K (JP) 2004-08-18 EP disclosed
EP-0632039-B1 2-[1-(1,3-Thiazolin-2-yl)azetidin-3-yl]thio-carbapenem derivatives WYETH LEDERLE JAPAN LTD (JP) 2002-01-30 EP disclosed
EP-0924210-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1999-06-23 EP disclosed
US-5534510-A ORALLY ADMINISTRABLE THIENAMYCIN ANTIBIOTICS; BETA-LACTAMASE INHIBITORS LEDERLE (JAPAN), LTD. (JP) 1996-07-09 US disclosed
EP-0632039-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1995-01-04 EP disclosed