SCHEMBL22236153

SCHEMBL22236153

CCCCOC(=O)NC1C2CNCC21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
ACHE P22303 13/20 0.46
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 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
SCHEMBL3332407 0.85 NAAA (0.52) NAAAACHEGAAMAPK1HTT
Hydrochloric Acid SCHEMBL23850454 0.83 NAAA (0.51) NAAAACHEGAAMAPK1HTT
Acetic Acid SCHEMBL4473079 0.81 NAAA (0.49) NAAAACHEGAAMAPK1HTT
SCHEMBL30276599 0.81 ACHE (0.47) NAAAACHEEPHX1
SCHEMBL30124284 0.80 NAAA (0.48) NAAAACHEGAAMAPK1HTT
SCHEMBL9707034 0.80 NAAA (0.48) NAAAACHEGAAMAPK1HTT
SCHEMBL21590369 0.80 NAAA (0.48) NAAAACHEGAAMAPK1HTT
SCHEMBL9707037 0.80 NAAA (0.48) NAAAACHEGAAMAPK1HTT
SCHEMBL28246288 0.76 GAA (0.50) NAAAACHEGAAMAPK1HTT
SCHEMBL951710 0.76 GAA (0.50) NAAAACHEGAAMAPK1HTT

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
WO-2023064370-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-04-20 WO disclosed
EP-3911643-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 EP disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed