SCHEMBL21795752

SCHEMBL21795752

CCN(CC)CCOc1cn[c]c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRNA7 P36544 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
LTA4H P09960 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL21795744 0.81 CHRNB2 (0.39) MAPT
SCHEMBL2178430 0.80 NQO1 (0.38) MAPTCHRNA7KDM4ETSHRSMN1; SMN2
SCHEMBL18114209 0.79 SYK (0.36)
SCHEMBL28443259 0.78 CHRNB2 (0.45) KDM4ELMNA
SCHEMBL18114249 0.77 ALDH1A1 (0.38)
SCHEMBL5256206 0.75 MAPT (0.50) MAPTKMT2ACHRNA7KDM4ETSHR
SCHEMBL20551171 0.75 EBP (0.42) MAPTKMT2ACHRNA7KDM4ETSHR
SCHEMBL18114281 0.74
SCHEMBL28783617 0.72
SCHEMBL16963979 0.71 EBP (0.47) MAPTKMT2ACHRNA7KDM4ETSHR

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
EP-3619196-A1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PEST-CONTROL AGENTS E.G. FOR THE PROTECTION OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2020-03-11 EP disclosed