SCHEMBL9728223

SCHEMBL9728223

O=C([C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
MCHR1 Q99705 4/20 0.42
NPBWR1 P48145 3/20 0.42
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
SCHEMBL9119637 0.99 DPP8 (0.45) DPP8DPP9MCHR1NPBWR1
SCHEMBL9120984 0.91 OPRK1 (0.39) DPP8DPP9MCHR1NPBWR1TDP1
SCHEMBL9040433 0.91 ALDH1A1 (0.41) MCHR1NPBWR1TDP1
SCHEMBL9040592 0.91 ALDH1A1 (0.41) MCHR1NPBWR1TDP1
SCHEMBL9199817 0.90 TDP1 (0.40) DPP8DPP9TDP1
SCHEMBL9120876 0.90 ALDH1A1 (0.44) DPP8DPP9
SCHEMBL8434820 0.89 TDP1 (0.43) DPP8DPP9TDP1
SCHEMBL8536750 0.88 KCNJ1 (0.42)
SCHEMBL8438589 0.88 KCNJ1 (0.42)
Dimethylamine SCHEMBL6943989 0.88 ALDH1A1 (0.41) DPP8DPP9MCHR1NPBWR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed