SCHEMBL7769332

SCHEMBL7769332

CCCOC(=O)NCCC([NH])=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.55
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
EPHX2 P34913 2/20 0.43

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
SCHEMBL7771514 0.89 ACHE (0.62) ACHEEPHX2
SCHEMBL7769261 0.84 ACHE (0.44) ACHE
SCHEMBL5700191 0.81 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7769333 0.81 ACHE (0.55) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29380101 0.80 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7773553 0.80 ACHE (0.48) ACHECHRNB2CHRNB4CHRNA3CHRNA4
Ammonia Solution, Strong SCHEMBL28282442 0.79 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7564851 0.79 ACHE (0.76) ACHEEPHX2
Hydrochloric Acid SCHEMBL27825731 0.79 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7773651 0.78 ACHE (0.44) ACHEEPHX2

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
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed