SCHEMBL9388231

SCHEMBL9388231

O=C1c2ccccc2C(=O)N1OC1CNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
CASP3 P42574 1/20 0.38
CYP1A2 P05177 3/20 0.38
MEN1 O00255 3/20 0.38
CYP3A4 P08684 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9387157 0.85 HTR2B (0.43) HTR2AHTR2CHTR2BCHRM2
SCHEMBL30728974 0.84 GAA (0.46) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL26931611 0.84 GAA (0.46) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL32665351 0.84 HRH1 (0.46) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL2184889 0.84 HRH1 (0.46) GAAALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL1677150 0.82 HRH1 (0.45) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL31712166 0.81 GAA (0.38) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL24130978 0.81 ALDH1A1 (0.43) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL30002131 0.81 ALDH1A1 (0.47) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL2077862 0.81 ALDH1A1 (0.47) GAAALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994000448-A1 AZACYCLIC AND AZABICYCLIC HYDROXYLAMINES AS MUSCARINIC RECEPTOR AGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1994-01-06 WO disclosed