SCHEMBL8908182

SCHEMBL8908182

OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2cccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.48
KCNH2 Q12809 3/20 0.48
CCR6 P51684 1/20 0.48
DRD4 P21917 2/20 0.44
HTR2A P28223 2/20 0.44
HTT P42858 1/20 0.43
HRH1 P35367 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DNMT1 P26358 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL7477007 0.82 KCNH2 (0.62) NPY2RKCNH2CCR6DRD4HRH1
Hydrochloric Acid SCHEMBL7473216 0.81 KCNH2 (0.60) NPY2RKCNH2CCR6DRD4HRH1
SCHEMBL8791275 0.79 KCNH2 (0.60) NPY2RKCNH2CCR6DRD4HRH1
SCHEMBL8190619 0.78 KCNH2 (0.53) NPY2RKCNH2CCR6DRD4HTR2A
SCHEMBL7472985 0.78 LMNA (0.56) NPY2RKCNH2CCR6HRH1BCHE
SCHEMBL8792146 0.78 CCR6 (0.49) NPY2RKCNH2CCR6HRH1
SCHEMBL31653496 0.77 HTT (0.57) DRD4HTTALDH1A1DRD2KDM4E
SCHEMBL8792369 0.76 TSHR (0.55) NPY2RKCNH2CCR6DRD4HRH1
SCHEMBL8948483 0.76 KCNH2 (0.51) NPY2RKCNH2DRD4HRH1MEN1
SCHEMBL8792733 0.76 KCNH2 (0.50) NPY2RKCNH2DRD4HRH1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US disclosed