SCHEMBL6601649

SCHEMBL6601649

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.45
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
FKBP1A P62942 8/20 0.41
PRCP P42785 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ACE P12821 2/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6606642 0.92 DPP8 (0.45) DPP8DPP4DPP7FKBP1APRCP
SCHEMBL6603737 0.90 DPP4 (0.47) DPP8DPP4DPP7FKBP1APRCP
SCHEMBL7454452 0.81 DPP8 (0.44) DPP8DPP4DPP7FKBP1AALDH1A1
SCHEMBL6605416 0.79 FKBP1A (0.49) DPP8DPP4DPP7FKBP1AALDH1A1
SCHEMBL29454953 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1
SCHEMBL9513187 0.72 PRCP (0.54) FKBP1APRCPACE
Trifluoroacetic Acid SCHEMBL6600269 0.72 FKBP1A (0.44) DPP8DPP4DPP7FKBP1AACE
SCHEMBL7458698 0.70 MCHR1 (0.53) ALDH1A1
SCHEMBL562368 0.70 LMNA (0.56) ALDH1A1L3MBTL1
SCHEMBL29004401 0.70 LMNA (0.56) ALDH1A1L3MBTL1

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