SCHEMBL8549712

SCHEMBL8549712

C#CCN(C(=O)Cl)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PYCR1 P32322 1/20 0.30

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
SCHEMBL11291650 0.79 DPP4 (0.31)
SCHEMBL27557171 0.78 PYCR1 (0.31) PYCR1
SCHEMBL3674885 0.72
SCHEMBL11410328 0.72
SCHEMBL21709554 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL28562924 0.70 CA1 (0.39) ALDH1A1TSHR
SCHEMBL9956876 0.70
SCHEMBL21709555 0.70 EPHX2 (0.33)
SCHEMBL7785447 0.69 DPP4 (0.32) ALDH1A1TSHRPYCR1
SCHEMBL26945502 0.69 MAPK1 (0.31)

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-5776858-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-07-07 US disclosed
EP-0820994-A1 Tetrazolinones as herbicides and intermediates NIHON BAYER AGROCHEM K.K. (JP) 1998-01-28 EP disclosed
EP-0771797-A1 1-Azinyl-tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1997-05-07 EP disclosed