SCHEMBL7472545

SCHEMBL7472545

OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.58
EHMT2 Q96KQ7 1/20 0.58
KCNH2 Q12809 1/20 0.52
HRH1 P35367 1/20 0.51
CYP3A4 P08684 2/20 0.48
SLC6A5 Q9Y345 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
ADRB2 P07550 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL7467030 0.89 DNMT1 (0.53) DNMT1EHMT2KCNH2HRH1CYP3A4
SCHEMBL7990925 0.85 KCNH2 (0.45) DNMT1EHMT2KCNH2HRH1ALDH1A1
SCHEMBL7469624 0.84 KCNH2 (0.61) DNMT1EHMT2KCNH2HRH1CYP3A4
SCHEMBL7995588 0.81 DNMT1 (0.56) DNMT1EHMT2KCNH2HRH1SLC6A5
SCHEMBL7470197 0.81 KCNH2 (0.61) DNMT1EHMT2KCNH2HRH1CYP3A4
SCHEMBL7472446 0.81 DNMT1 (0.58) DNMT1EHMT2KCNH2HRH1SLC6A5
Hydrochloric Acid SCHEMBL8200558 0.79 KCNH2 (0.67) DNMT1EHMT2KCNH2HRH1ALDH1A1
SCHEMBL8791275 0.78 KCNH2 (0.60) DNMT1EHMT2KCNH2HRH1ALDH1A1
SCHEMBL5098887 0.77 CYP2D6 (0.50) KCNH2HRH1ALDH1A1HRH3KDM4E
SCHEMBL5788585 0.76 MEN1 (0.45) KCNH2CYP3A4ALDH1A1HRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844825-B1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2002-11-27 EP claimed
EP-0844825-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2000-04-05 EP claimed
US-6030987-A Insecticidal N-(substituted arylmethyl)-4-[bis(substituted phenyl or pyridyl)methyl]piperidines FMC CORPORATION (US) 2000-02-29 US claimed
EP-0844825-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1998-06-03 EP claimed
WO-1996036228-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1996-11-21 WO claimed