SCHEMBL8201230

SCHEMBL8201230

O=[N+]([O-])c1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.48
DNMT1 P26358 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
HRH1 P35367 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8190619 0.84 KCNH2 (0.53) KCNH2DNMT1EHMT2HRH1ALDH1A1
SCHEMBL7472985 0.84 LMNA (0.56) KCNH2DNMT1EHMT2HRH1ALDH1A1
SCHEMBL7477007 0.83 KCNH2 (0.62) KCNH2HRH1ALDH1A1
SCHEMBL3824647 0.83 BCHE (0.51) KCNH2DNMT1EHMT2HRH1ALDH1A1
Hydrochloric Acid SCHEMBL7473216 0.82 KCNH2 (0.60) KCNH2HRH1
SCHEMBL8792369 0.82 TSHR (0.55) KCNH2DNMT1EHMT2HRH1ALDH1A1
SCHEMBL8948483 0.82 KCNH2 (0.51) KCNH2DNMT1EHMT2HRH1ALDH1A1
SCHEMBL8791275 0.82 KCNH2 (0.60) KCNH2DNMT1EHMT2HRH1ALDH1A1
SCHEMBL8792733 0.81 KCNH2 (0.50) KCNH2DNMT1EHMT2HRH1ALDH1A1
SCHEMBL8948348 0.81 HRH1 (0.52) FAAHKCNH2DNMT1EHMT2HRH1

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
US-6017931-A Insecticidal compositions containing n-(substituted phenylmethyl)-4-[bis(substituted phenyl)methyl]piperidines FMC CORPORATION 2000-01-25 US disclosed
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